{"id":1785,"date":"2019-05-22T02:47:44","date_gmt":"2019-05-22T02:47:44","guid":{"rendered":"http:\/\/www.meetyoucarbide.com\/single-post-inventory-progress-in-the-application-of-first-principles-in-materials-science\/"},"modified":"2020-05-04T13:12:06","modified_gmt":"2020-05-04T13:12:06","slug":"inventory-progress-in-the-application-of-first-principles-in-materials-science","status":"publish","type":"post","link":"https:\/\/www.meetyoucarbide.com\/ar\/%d8%aa%d9%82%d8%af%d9%85-%d8%a7%d9%84%d8%ac%d8%b1%d8%af-%d9%81%d9%8a-%d8%aa%d8%b7%d8%a8%d9%8a%d9%82-%d8%a7%d9%84%d9%85%d8%a8%d8%a7%d8%af%d8%a6-%d8%a7%d9%84%d8%a3%d9%88%d9%84%d9%89-%d9%81%d9%8a-%d8%b9\/","title":{"rendered":"\u0627\u0644\u062c\u0631\u062f: \u0627\u0644\u062a\u0642\u062f\u0645 \u0627\u0644\u0645\u062d\u0631\u0632 \u0641\u064a \u062a\u0637\u0628\u064a\u0642 \u0627\u0644\u0645\u0628\u0627\u062f\u0626 \u0627\u0644\u0623\u0648\u0644\u0649 \u0641\u064a \u0639\u0644\u0645 \u0627\u0644\u0645\u0648\u0627\u062f"},"content":{"rendered":"
\n
\n
\u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0647\u0648 \u0641\u064a \u0627\u0644\u0648\u0627\u0642\u0639 \u0645\u0635\u0637\u0644\u062d \u0641\u0644\u0633\u0641\u064a \u0637\u0631\u062d\u0647 \u0627\u0644\u0641\u064a\u0644\u0633\u0648\u0641 \u0627\u0644\u064a\u0648\u0646\u0627\u0646\u064a \u0627\u0644\u0642\u062f\u064a\u0645 \u0623\u0631\u0633\u0637\u0648: \u0647\u0646\u0627\u0643 \u0627\u0642\u062a\u0631\u0627\u062d \u0623\u0633\u0627\u0633\u064a \u0641\u064a \u0643\u0644 \u0646\u0638\u0627\u0645 \u0644\u0627 \u064a\u0645\u0643\u0646 \u0627\u0646\u062a\u0647\u0627\u0643\u0647 \u0623\u0648 \u062d\u0630\u0641\u0647 \u060c \u0648\u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0647\u0648 \u0641\u064a \u0627\u0644\u0648\u0627\u0642\u0639 \u0645\u0635\u0637\u0644\u062d \u0641\u0644\u0633\u0641\u064a \u0637\u0631\u062d\u0647 \u0627\u0644\u0641\u064a\u0644\u0633\u0648\u0641 \u0627\u0644\u064a\u0648\u0646\u0627\u0646\u064a \u0627\u0644\u0642\u062f\u064a\u0645 \u0623\u0631\u0633\u0637\u0648: \u0647\u0646\u0627\u0643 \u0627\u0642\u062a\u0631\u0627\u062d \u0623\u0633\u0627\u0633\u064a \u0641\u064a \u0643\u0644 \u0646\u0638\u0627\u0645 \u0644\u0627 \u064a\u0645\u0643\u0646 \u0627\u0646\u062a\u0647\u0627\u0643\u0647 \u0623\u0648 \u062d\u0630\u0641\u0647.<\/div>\n
\u0627\u0644\u0634\u0643\u0644 1 \u0623\u0631\u0633\u0637\u0648<\/div>\n

\"\"<\/p>\n

\u0641\u064a \u0645\u062c\u0627\u0644 \u0639\u0644\u0645 \u0627\u0644\u0645\u0648\u0627\u062f \u060c \u064a\u0634\u064a\u0631 \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0625\u0644\u0649 \u0645\u0628\u062f\u0623 \u0627\u0644\u0646\u0648\u0627\u0629 \u0627\u0644\u0630\u0631\u064a\u0629 \u0648\u062a\u0641\u0627\u0639\u0644 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0648\u0642\u0627\u0646\u0648\u0646 \u0627\u0644\u062d\u0631\u0643\u0629 \u0627\u0644\u0623\u0633\u0627\u0633\u064a \u0627\u0644\u062e\u0627\u0635 \u0628\u0647. \u0628\u0627\u0633\u062a\u062e\u062f\u0627\u0645 \u0645\u064a\u0643\u0627\u0646\u064a\u0643\u0627 \u0627\u0644\u0643\u0645 \u060c \u0645\u0646 \u0627\u0644\u0645\u062a\u0637\u0644\u0628\u0627\u062a \u0627\u0644\u0645\u062d\u062f\u062f\u0629 \u060c \u0628\u0639\u062f \u0633\u0644\u0633\u0644\u0629 \u0645\u0646 \u0627\u0644\u062a\u0642\u0631\u064a\u0628\u0627\u062a \u060c \u064a\u062a\u0645 \u062d\u0644 \u0645\u0639\u0627\u062f\u0644\u0629 \u0645\u0648\u062c\u0629 \u0634\u0631\u0648\u062f\u0646\u062c\u0631 \u0645\u0628\u0627\u0634\u0631\u0629 \u0644\u0644\u062d\u0635\u0648\u0644 \u0639\u0644\u0649 \u0627\u0644\u0628\u0646\u064a\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a\u0629. \u0648\u0628\u0627\u0644\u062a\u0627\u0644\u064a \u064a\u062a\u0645 \u0627\u0644\u062d\u0635\u0648\u0644 \u0639\u0644\u0649 \u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0641\u064a\u0632\u064a\u0627\u0626\u064a\u0629 \u0648\u0627\u0644\u0643\u064a\u0645\u064a\u0627\u0626\u064a\u0629 \u0644\u0644\u0646\u0638\u0627\u0645 \u0628\u062f\u0642\u0629 \u060c \u0648\u064a\u062a\u0645 \u0627\u0644\u062a\u0646\u0628\u0624 \u0628\u062d\u0627\u0644\u0629 \u0648\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0646\u0638\u0627\u0645 \u0627\u0644\u0645\u062c\u0647\u0631\u064a. \u0648\u0645\u0639 \u0630\u0644\u0643 \u060c \u0641\u0625\u0646 \u0639\u0645\u0644\u064a\u0629 \u0627\u0644\u062d\u0644 \u0635\u0639\u0628\u0629 \u0644\u0644\u063a\u0627\u064a\u0629. \u0644\u0647\u0630\u0627 \u0627\u0644\u0633\u0628\u0628 \u060c \u0627\u0642\u062a\u0631\u062d Born-Oppenheimer \u062a\u0642\u0631\u064a\u0628\u064b\u0627 \u062b\u0627\u0628\u062a\u064b\u0627 \u062b\u0627\u0628\u062a\u064b\u0627 \u060c \u0648\u0647\u0648 \u0627\u0644\u0646\u0638\u0631 \u0641\u064a \u0627\u0644\u0645\u0634\u0643\u0644\u0629 \u0628\u0631\u0645\u062a\u0647\u0627 \u0641\u064a \u062d\u0631\u0643\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0648\u0627\u0644\u0646\u0648\u0627\u0629. \u0628\u0627\u0644\u0646\u0638\u0631 \u0625\u0644\u0649 \u062d\u0631\u0643\u0629 \u0627\u0644\u0646\u0648\u0627\u0629 \u0641\u064a \u0627\u0644\u0645\u0648\u0636\u0639 \u0627\u0644\u0622\u0646\u064a \u060c \u0645\u0639 \u0627\u0644\u0623\u062e\u0630 \u0641\u064a \u0627\u0644\u0627\u0639\u062a\u0628\u0627\u0631 \u062d\u0631\u0643\u0629 \u0627\u0644\u0646\u0648\u0627\u0629 \u060c \u0644\u0627 \u064a\u0624\u062e\u0630 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0641\u064a \u0627\u0644\u0627\u0639\u062a\u0628\u0627\u0631. \u0627\u0644\u062a\u0648\u0632\u064a\u0639 \u0627\u0644\u0645\u062d\u062f\u062f \u0644\u0644\u0641\u0636\u0627\u0621. \u0628\u0627\u0644\u0646\u0633\u0628\u0629 \u0644\u0623\u0646\u0638\u0645\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646 N \u060c \u0644\u0627 \u064a\u0632\u0627\u0644 \u0627\u0644\u062d\u0644 \u0635\u0639\u0628\u064b\u0627 \u0644\u0644\u063a\u0627\u064a\u0629 \u060c \u0644\u0630\u0644\u0643 \u064a\u064f\u0642\u062a\u0631\u062d \u062a\u0642\u0631\u064a\u0628 \u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0648\u0627\u062d\u062f \u060c \u0623\u064a \u064a\u062a\u0645 \u0623\u062e\u0630 \u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0648\u0627\u062d\u062f \u0641\u0642\u0637 \u0641\u064a \u0627\u0644\u0627\u0639\u062a\u0628\u0627\u0631 \u060c \u0648\u064a\u062a\u0645 \u0627\u0644\u062a\u0639\u0627\u0645\u0644 \u0645\u0639 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0627\u0644\u0623\u062e\u0631\u0649 \u0628\u0634\u0643\u0644 \u0645\u0634\u0627\u0628\u0647 \u0644\u0634\u0643\u0644 \u0645\u0646 \u0623\u0634\u0643\u0627\u0644 \u0627\u0644\u0645\u062c\u0627\u0644 \u0627\u0644\u0645\u062d\u062a\u0645\u0644 \u060c \u0648\u0627\u0644\u0630\u064a \u064a\u062a\u0645 \u062a\u062d\u0648\u064a\u0644\u0647 \u0625\u0644\u0649 \u0648\u0627\u062d\u062f \u0627\u0644\u0645\u0634\u0643\u0644\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a\u0629 \u0647\u064a \u0645\u062a\u0648\u0633\u0637 \u062a\u0642\u0631\u064a\u0628 \u0627\u0644\u0645\u062c\u0627\u0644 [1 \u060c 2].<\/div>\n
\u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0647\u0648 \u062d\u0644 \u0645\u0639\u0627\u062f\u0644\u0629 \u0634\u0631\u0648\u062f\u0646\u062c\u0631 \u0627\u0644\u062a\u064a \u062a\u0635\u0641 \u0642\u0627\u0646\u0648\u0646 \u062d\u0631\u0643\u0629 \u0627\u0644\u062c\u0633\u064a\u0645\u0627\u062a \u0627\u0644\u0645\u062c\u0647\u0631\u064a\u0629 \u0628\u062d\u0633\u0627\u0628 \u0645\u062a\u0633\u0642 \u0630\u0627\u062a\u064a\u064b\u0627 \u0639\u0644\u0649 \u0623\u0633\u0627\u0633 \u0627\u0644\u062a\u0642\u0631\u064a\u0628 \u062b\u0627\u0628\u062a \u0627\u0644\u062d\u0631\u0627\u0631\u0629 \u0648\u062a\u0642\u0631\u064a\u0628 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0627\u0644\u0641\u0631\u062f\u064a. \u064a\u0639\u062f \u062a\u0642\u0631\u064a\u0628 Hartree-Fock \u0646\u0648\u0639\u064b\u0627 \u0645\u0646 \u062a\u0642\u0631\u064a\u0628 \u0627\u0644\u0645\u062c\u0627\u0644 \u0627\u0644\u0645\u062a\u0648\u0633\u0637 \u0627\u0644\u0630\u064a \u064a\u062a\u062c\u0627\u0647\u0644 \u0627\u0644\u062a\u0641\u0627\u0639\u0644 \u0628\u064a\u0646 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0648\u064a\u0639\u0627\u0645\u0644 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0643\u062d\u0631\u0643\u0627\u062a \u0641\u064a \u0645\u062a\u0648\u0633\u0637 \u0627\u0644\u0645\u062c\u0627\u0644 \u0627\u0644\u0645\u062d\u062a\u0645\u0644 \u0644\u0645\u062c\u0627\u0644 \u062c\u0647\u062f \u0627\u0644\u0623\u064a\u0648\u0646\u0627\u062a \u0648\u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0627\u0644\u0623\u062e\u0631\u0649. \u0627\u0644\u062a\u0642\u0631\u064a\u0628 \u064a\u062d\u062f \u0645\u0646 \u062f\u0642\u0629 \u0627\u0644\u062d\u0633\u0627\u0628. \u0641\u064a \u0639\u0627\u0645 1964 \u060c \u0627\u0642\u062a\u0631\u062d Hohenberg \u0648 Kohn \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 \u060c \u0648\u0627\u0644\u062a\u064a \u062a\u0639\u0628\u0631 \u0628\u0645\u0647\u0627\u0631\u0629 \u0639\u0646 \u0627\u0644\u0625\u0645\u0643\u0627\u0646\u0627\u062a \u0627\u0644\u0645\u0631\u062a\u0628\u0637\u0629 \u0628\u0627\u0644\u062a\u0628\u0627\u062f\u0644 \u0628\u064a\u0646 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0643\u0634\u0643\u0644 \u0645\u0646 \u0623\u0634\u0643\u0627\u0644 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 \u060c \u0628\u062d\u064a\u062b \u064a\u0645\u0643\u0646 \u062a\u062d\u062f\u064a\u062f \u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0645\u0627\u062f\u0629 \u0645\u0646 \u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646. \u0645\u0646\u0630 \u0630\u0644\u0643 \u0627\u0644\u062d\u064a\u0646 \u060c \u062d\u0635\u0644 \u0643\u0644 \u0645\u0646 Kohn and Sham (Shen Lujiu) \u0639\u0644\u0649 \u0645\u0639\u0627\u062f\u0644\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0627\u0644\u0645\u0641\u0631\u062f \u0641\u064a \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 \u060c \u0648\u0647\u064a \u0645\u0639\u0627\u062f\u0644\u0629 Kohn-Sham (KS) \u060c \u0648\u0627\u0644\u062a\u064a \u062a\u062c\u0639\u0644 \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 \u0645\u0637\u0628\u0642\u0629 \u0639\u0645\u0644\u064a\u064b\u0627 [3 \u060c 4]. \u062a\u0644\u062e\u0635 \u0647\u0630\u0647 \u0627\u0644\u0645\u0642\u0627\u0644\u0629 \u0622\u062e\u0631 \u062a\u0642\u062f\u0645 \u0641\u064a \u062a\u0637\u0628\u064a\u0642 \u0627\u0644\u0645\u0628\u0627\u062f\u0626 \u0627\u0644\u0623\u0648\u0644\u0649 \u0641\u064a \u0627\u0644\u062c\u0648\u0627\u0646\u0628 \u0627\u0644\u062a\u0627\u0644\u064a\u0629:<\/div>\n

\u062d\u0633\u0627\u0628 \u0645\u0639\u0644\u0645\u0627\u062a \u0627\u0644\u062a\u0631\u0643\u064a\u0628 \u0627\u0644\u0628\u0644\u0648\u0631\u064a \u0648\u0627\u0644\u062a\u0643\u0648\u064a\u0646<\/h2>\n
\u0627\u0644\u062a\u0631\u0643\u064a\u0628 \u0627\u0644\u0628\u0644\u0648\u0631\u064a \u0647\u0648 \u0627\u0644\u0623\u0633\u0627\u0633 \u0644\u0641\u0647\u0645 \u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0623\u0633\u0627\u0633\u064a\u0629 \u0644\u0644\u0645\u0648\u0627\u062f \u060c \u062e\u0627\u0635\u0629 \u0644\u0644\u0643\u0634\u0641 \u0639\u0646 \u0627\u0644\u0639\u0644\u0627\u0642\u0629 \u0628\u064a\u0646 \u0627\u0644\u0628\u0646\u064a\u0629 \u0627\u0644\u0645\u062c\u0647\u0631\u064a\u0629 \u0644\u0644\u0645\u0648\u0627\u062f \u0648\u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u062c\u0648\u0647\u0631\u064a\u0629 \u0644\u0644\u0645\u0631\u0648\u0646\u0629 \u0648\u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u0627\u062a \u0648\u0627\u0644\u0641\u0648\u0646\u0648\u0646\u0627\u062a \u0648\u0627\u0644\u062f\u064a\u0646\u0627\u0645\u064a\u0643\u0627 \u0627\u0644\u062d\u0631\u0627\u0631\u064a\u0629.<\/div>\n
Leineweber and T. Hickel et al. \u0627\u0633\u062a\u062e\u062f\u0645 \u0627\u0644\u0637\u0631\u064a\u0642\u0629 \u0627\u0644\u0634\u0627\u0645\u0644\u0629 \u0644\u0625\u062c\u0631\u0627\u0621 \u062d\u0633\u0627\u0628 DFT \u0639\u0644\u0649 \u0627\u0644\u0647\u064a\u0627\u0643\u0644 \u0627\u0644\u0645\u062d\u062a\u0645\u0644\u0629 \u0644\u0640 Fe4N \u0648 Fe4C \u060c \u0645\u0639 \u0627\u0644\u0623\u062e\u0630 \u0641\u064a \u0627\u0644\u0627\u0639\u062a\u0628\u0627\u0631 \u062a\u0631\u062a\u064a\u0628 fcc \u0644\u0630\u0631\u0627\u062a Fe \u0648\u0645\u0648\u0636\u0639 \u0630\u0631\u0627\u062a N \/ C \u0639\u0644\u0649 \u062b\u0645\u0627\u0646\u064a \u0627\u0644\u0633\u0637\u0648\u062d \u060c \u062d\u064a\u062b \u064a\u0645\u0643\u0646 \u0644\u062c\u0632\u0621 \u0645\u0646 \u0627\u0644\u0647\u064a\u0643\u0644 \u0623\u0646 \u064a\u0645\u0631 Bain. \u064a\u0635\u0628\u062d \u0627\u0644\u062a\u0634\u0648\u064a\u0647 \u0645\u0633\u062a\u0642\u0631\u064b\u0627 \u060c \u0648\u062a\u0639\u0631\u0636 \u0630\u0631\u0629 C \u062a\u0633\u0644\u0633\u0644\u064b\u0627 \u0645\u0646 \u0646\u0648\u0639 Zener \u0641\u064a bcc \u060c \u0643\u0645\u0627 \u0647\u0648 \u0645\u0648\u0636\u062d \u0641\u064a \u0627\u0644\u0634\u0643\u0644 2 \u060c \u0648\u062a\u0643\u0634\u0641 \u0639\u0646 \u0627\u0644\u0627\u062e\u062a\u0644\u0627\u0641 \u0627\u0644\u0645\u0645\u064a\u0632 \u0644\u0627\u062a\u062c\u0627\u0647 \u0627\u0644\u062a\u0648\u062c\u0647 \u0644\u0644\u0630\u0631\u0627\u062a \u0627\u0644\u062e\u0644\u0627\u0644\u064a\u0629 \u060c \u0648\u0627\u0644\u0630\u064a \u064a\u062a\u0648\u0627\u0641\u0642 \u0645\u0639 \u0627\u062e\u062a\u0644\u0627\u0641 \u0627\u0644\u0628\u0646\u064a\u0629 \u0627\u0644\u0623\u0648\u0633\u062a\u0646\u064a\u062a\u064a \u0627\u0644\u0645\u0644\u062d\u0648\u0638 \u062a\u062c\u0631\u064a\u0628\u064a\u0627\u064b [5 ].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 2 fct (\u0631\u0628\u0627\u0639\u064a \u0627\u0644\u0632\u0648\u0627\u064a\u0627 \u0627\u0644\u0648\u062c\u0647) \u0645\u0646 \u0630\u0631\u062a\u064a\u0646 Fe (\u0623\u0632\u0631\u0642)<\/div>\n

\"\"<\/p>\n

\u062d\u0633\u0627\u0628 \u0627\u0633\u062a\u0642\u0631\u0627\u0631 \u0637\u0648\u0631 \u0627\u0644\u0633\u0628\u064a\u0643\u0629<\/h2>\n
\u062a\u064f\u0633\u062a\u062e\u062f\u0645 \u0637\u0631\u064a\u0642\u0629 \u0627\u0644\u0637\u0627\u0642\u0629 \u0627\u0644\u0625\u062c\u0645\u0627\u0644\u064a\u0629 \u0644\u0644\u0645\u0628\u0627\u062f\u0626 \u0627\u0644\u0623\u0648\u0644\u0649 \u0627\u0644\u0642\u0627\u0626\u0645\u0629 \u0639\u0644\u0649 \u0627\u0644\u0645\u0648\u062c\u0629 \u0627\u0644\u0645\u0633\u062a\u0648\u064a\u0629 \u0630\u0627\u062a \u0627\u0644\u0625\u0645\u0643\u0627\u0646\u0627\u062a \u0627\u0644\u0641\u0627\u0626\u0642\u0629 \u0644\u062f\u0631\u0627\u0633\u0629 \u0628\u0646\u064a\u0629 \u0627\u0644\u0637\u0648\u0631 \u0627\u0644\u0628\u0644\u0648\u0631\u064a \u060c \u0648\u064a\u062a\u0645 \u0627\u0644\u062d\u0635\u0648\u0644 \u0639\u0644\u0649 \u0627\u0644\u0627\u0633\u062a\u0642\u0631\u0627\u0631 \u0627\u0644\u062f\u064a\u0646\u0627\u0645\u064a\u0643\u064a \u0627\u0644\u062d\u0631\u0627\u0631\u064a \u0644\u0644\u0628\u0646\u064a\u0629 \u0627\u0644\u0645\u062c\u0647\u0631\u064a\u0629 \u0644\u0623\u0648\u0627\u0645\u0631 \u0627\u0644\u062a\u0631\u0627\u0635 \u0627\u0644\u0645\u062e\u062a\u0644\u0641\u0629 \u060c \u0628\u062d\u064a\u062b \u064a\u062a\u0645 \u0627\u0644\u062a\u0646\u0628\u0624 \u0628\u0627\u0644\u0628\u0646\u064a\u0629 \u0627\u0644\u0623\u0643\u062b\u0631 \u0627\u0633\u062a\u0642\u0631\u0627\u0631\u064b\u0627 \u0627\u0644\u062a\u064a \u0642\u062f \u062a\u0643\u0648\u0646 \u0645\u0648\u062c\u0648\u062f\u0629 \u0623\u0646 \u064a\u0643\u0648\u0646 \u062a\u0635\u0645\u064a\u0645\u064b\u0627 \u062c\u062f\u064a\u062f\u064b\u0627 \u0648\u062a\u0637\u0648\u064a\u0631\u064b\u0627. \u0648\u0633\u064a\u0644\u0629 \u0645\u0647\u0645\u0629 \u0644\u0644\u0645\u0648\u0627\u062f.<\/div>\n
\u0639\u0644\u0649 \u0633\u0628\u064a\u0644 \u0627\u0644\u0645\u062b\u0627\u0644 \u060c Zhilin Li \u0648 Chunyang Xia et al. \u0623\u062c\u0631\u0649 \u062f\u0631\u0627\u0633\u0629 \u0623\u0648\u0644\u064a\u0629 \u062d\u0648\u0644 \u062b\u0628\u0627\u062a \u0637\u0648\u0631 Cu2ZnSnS4 \u060c \u0648\u0647\u064a \u0645\u0627\u062f\u0629 \u0637\u0628\u0642\u0629 \u0627\u0645\u062a\u0635\u0627\u0635 \u0627\u0644\u062e\u0644\u0627\u064a\u0627 \u0627\u0644\u0634\u0645\u0633\u064a\u0629 \u0630\u0627\u062a \u0627\u0644\u0623\u063a\u0634\u064a\u0629 \u0627\u0644\u0631\u0642\u064a\u0642\u0629 \u060c \u0627\u0633\u062a\u0646\u0627\u062f\u064b\u0627 \u0625\u0644\u0649 \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 (DFT) \u060c \u0628\u0627\u0633\u062a\u062e\u062f\u0627\u0645 PBE \u0641\u064a \u0638\u0644 \u0627\u0644\u062a\u0642\u0631\u064a\u0628 \u0627\u0644\u0645\u062a\u062f\u0631\u062c \u0627\u0644\u0645\u0639\u0645\u0645 (GGA). \u062a\u0645 \u062d\u0633\u0627\u0628 \u0645\u0639\u0644\u0645\u0627\u062a \u0627\u0644\u0634\u0628\u0643\u0629 \u0648\u0627\u0644\u0637\u0627\u0642\u0629 \u0627\u0644\u0643\u0644\u064a\u0629 \u0644\u0646\u0638\u0627\u0645 \u0633\u0628\u064a\u0643\u0629 Cu-Zn-Sn-S \u0645\u0646 \u062e\u0644\u0627\u0644 \u0625\u0645\u0643\u0627\u0646\u064a\u0629 \u0627\u0644\u0627\u0631\u062a\u0628\u0627\u0637 \u0627\u0644\u062a\u0628\u0627\u062f\u0644\u064a \u060c \u0648\u062a\u0645 \u0625\u0646\u0634\u0627\u0621 \u0646\u0645\u0648\u0630\u062c \u0627\u0644\u062d\u0633\u0627\u0628 \u0648\u0637\u0627\u0642\u0629 \u0627\u0644\u062a\u0648\u0644\u064a\u062f \u0644\u0644\u0645\u0631\u0627\u062d\u0644 \u0627\u0644\u0645\u062d\u062a\u0645\u0644\u0629 \u0641\u064a \u0633\u0628\u064a\u0643\u0629 Cu-Zn-Sn-S. \u0627\u0644\u0646\u062a\u0627\u0626\u062c \u0645\u0648\u0636\u062d\u0629 \u0641\u064a \u0627\u0644\u0634\u0643\u0644 3 \u0648\u0627\u0644\u062c\u062f\u0648\u0644 1. \u0643\u0645\u0627 \u0647\u0648 \u0645\u0648\u0636\u062d \u060c \u062a\u0642\u062f\u0645 \u0647\u0630\u0647 \u0627\u0644\u062f\u0631\u0627\u0633\u0629 \u0625\u0631\u0634\u0627\u062f\u0627\u062a \u0644\u062a\u0635\u0645\u064a\u0645 \u0633\u0628\u0627\u0626\u0643 \u0627\u0644\u0646\u062d\u0627\u0633 \u0648\u0627\u0644\u0632\u0646\u0643 \u0648\u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0644\u0644\u062e\u0644\u0627\u064a\u0627 \u0627\u0644\u0634\u0645\u0633\u064a\u0629 \u0627\u0644\u0645\u0631\u0643\u0628\u0629 \u0630\u0627\u062a \u0627\u0644\u0623\u063a\u0634\u064a\u0629 \u0627\u0644\u0631\u0642\u064a\u0642\u0629. \u064a\u0645\u0643\u0646 \u0623\u064a\u0636\u064b\u0627 \u062a\u0648\u0633\u064a\u0639 \u0627\u0644\u0646\u0645\u0648\u0630\u062c \u0648\u0637\u0631\u064a\u0642\u0629 \u0627\u0644\u062d\u0633\u0627\u0628 \u0644\u062a\u0634\u0645\u0644 \u0627\u0644\u062a\u0646\u0628\u0624 \u0628\u0627\u0633\u062a\u0642\u0631\u0627\u0631 \u0627\u0644\u0637\u0648\u0631 \u0644\u0623\u0646\u0638\u0645\u0629 \u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0627\u0644\u0623\u062e\u0631\u0649 [6].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 3 \u0646\u0645\u0648\u0630\u062c \u0628\u0646\u064a\u0629 Superlattice \u0644\u0640 64 \u0639\u064a\u0648\u0628 \u0627\u0633\u062a\u0628\u062f\u0627\u0644 ZnCu<\/div>\n

\"\"<\/p>\n

\u0627\u0644\u062c\u062f\u0648\u0644 1 \u0647\u064a\u0643\u0644 \u0627\u0644\u0634\u0628\u0643\u0629 \u0627\u0644\u0641\u0627\u0626\u0642\u0629 \u0627\u0644\u0645\u062d\u0633\u0646 \u0648\u0646\u062a\u0627\u0626\u062c \u062d\u0633\u0627\u0628 \u0627\u0644\u0637\u0627\u0642\u0629 \u0627\u0644\u0625\u062c\u0645\u0627\u0644\u064a\u0629<\/div>\n

\"\"<\/p>\n

\u0627\u0644\u0647\u064a\u0643\u0644 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a<\/h2>\n
\u0628\u0627\u0644\u0646\u0633\u0628\u0629 \u0644\u0644\u0647\u064a\u0627\u0643\u0644 \u0627\u0644\u0645\u0633\u062a\u0642\u0631\u0629 \u060c \u064a\u0639\u062f \u062d\u0633\u0627\u0628 \u062a\u0648\u0632\u064a\u0639 \u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u0627\u0644\u0645\u062a\u0643\u0627\u0641\u0626 \u0644\u0644\u0645\u0648\u0627\u062f \u0623\u0645\u0631\u064b\u0627 \u0645\u0647\u0645\u064b\u0627 \u0644\u0641\u0647\u0645 \u062f\u0631\u062c\u0629 \u0627\u0644\u062a\u0631\u0627\u0628\u0637 \u0648\u0627\u0644\u062a\u0623\u064a\u0646 \u0628\u064a\u0646 \u0627\u0644\u0630\u0631\u0627\u062a.<\/div>\n
Benkabou and H. Rached et al. used the first principle to calculate quaternary CoRhMnZ (Z = Al, Ga, Ge and Si) Heusler alloys (a class of intermetallic compounds, which can be described as X2YZ or XX0YZ, where X, X0 and Y Is a transition metal element, Z is a group III, IV or V element, generally contains non-ferromagnetic elements, but the compound exhibits ferromagnetic) electronic structure, calculated using the full potential linear affixed plane wave method (FLAPW) and GGA-PBE approximation. Figure 4 shows the results of state density calculations for the corresponding structures, showing that these compounds exhibit semi-metallic ferromagnets in a few states, CoRhMnGe and CoRhMnSi compounds and their magnetic moments are basically consistent with Slater-Pauling’s law, indicating their semi-metallic properties. High spin polarization, in addition to CoRhMnSi, these compounds are stable in the YI structure [7].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 3 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0625\u062c\u0645\u0627\u0644\u064a\u0629 \u0648\u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0645\u062d\u0644\u064a\u0629 \u0644\u062d\u0627\u0644\u0627\u062a CoRhMnZ (Z = Al \u0648 Ga \u0648 Ge \u0648 Si)<\/div>\n

\"\"<\/p>\n

\u0633\u0648\u0646\u063a \u0648\u0622\u062e\u0631\u0648\u0646. \u0627\u0633\u062a\u062e\u062f\u0645 \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0644\u062f\u0631\u0627\u0633\u0629 \u0627\u0644\u062a\u0631\u0643\u064a\u0628 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a \u0644\u0641\u064a\u0644\u0645 TiN. \u0643\u0645\u0627 \u0647\u0648 \u0645\u0628\u064a\u0646 \u0641\u064a \u0627\u0644\u0634\u0643\u0644 4 \u060c \u062a\u0645\u062a \u0645\u062d\u0627\u0643\u0627\u0629 \u0627\u0644\u0646\u0637\u0627\u0642 \u0628\u0648\u0627\u0633\u0637\u0629 \u0628\u0631\u0646\u0627\u0645\u062c Studio Studio (MS) \u060c \u0648\u062a\u0645 \u062d\u0633\u0627\u0628 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0625\u062c\u0645\u0627\u0644\u064a\u0629 \u0644\u0644\u062d\u0627\u0644\u0627\u062a (DOS) \u060c \u0648\u0648\u0638\u064a\u0641\u0629 \u0627\u0644\u0639\u0632\u0644 \u0627\u0644\u0643\u0647\u0631\u0628\u0627\u0626\u064a \u060c \u0648\u0627\u0644\u0627\u0645\u062a\u0635\u0627\u0635. \u0648\u0627\u0646\u0639\u0643\u0627\u0633\u064a\u0629.<\/div>\n
\u0623\u0638\u0647\u0631\u062a \u0627\u0644\u0646\u062a\u0627\u0626\u062c \u0623\u0646 \u0637\u0627\u0642\u0629 Fermi (EF) \u062a\u0645\u0631 \u0639\u0628\u0631 \u0646\u0637\u0627\u0642 \u0627\u0644\u0637\u0627\u0642\u0629 \u0645\u0639 \u062a\u0648\u0632\u064a\u0639 \u0645\u0633\u062a\u0648\u0649 \u0637\u0627\u0642\u0629 \u0643\u062b\u064a\u0641 \u060c \u0648\u062a\u062a\u0642\u0627\u0637\u0639 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0625\u062c\u0645\u0627\u0644\u064a\u0629 \u0644\u0644\u062d\u0627\u0644\u0627\u062a \u0645\u0639 EF \u060c \u0645\u0645\u0627 \u064a\u0634\u064a\u0631 \u0625\u0644\u0649 \u0623\u0646 TiN \u064a\u062a\u0645 \u062a\u062d\u062f\u064a\u062f\u0647 \u0628\u0648\u0627\u0633\u0637\u0629 \u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a\u0629 \u0644\u062d\u0627\u0644\u0629 Ti-3d \u0644\u064a\u0643\u0648\u0646 \u0644\u0647\u0627 \u062e\u0635\u0627\u0626\u0635 \u0641\u0644\u0632\u064a\u0629 [8 ].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 4 \u0647\u064a\u0643\u0644 \u0646\u0637\u0627\u0642 \u0627\u0644\u0637\u0627\u0642\u0629 \u0644\u0641\u064a\u0644\u0645 TiN (\u0623) \u060c \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0643\u0627\u0645\u0644\u0629 (\u0628) \u0648\u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0645\u062d\u0644\u064a\u0629 (\u062c)<\/div>\n

\"\"<\/p>\n

\u062d\u0633\u0627\u0628 \u0627\u0644\u062e\u0648\u0627\u0635 \u0627\u0644\u0645\u064a\u0643\u0627\u0646\u064a\u0643\u064a\u0629<\/h2>\n
The elastic constant Cij is a basic parameter describing the mechanical properties of materials. It is closely related to basic solid phenomena, such as interatomic bonding, state equations and phonon spectra, as well as thermodynamic properties such as specific heat, thermal expansion, Debye temperature and Gr\u00fcneisen parameters. Related. Theoretically, there are 21 independent elastic constants Cij, but the symmetry of the cubic crystal reduces this value to only 3 (C11, C12 and C44), and the shear modulus G, Young’s modulus E and Poisson are derived from the elastic constants. Ratio n, then estimate the Debye temperature from the average sound velocity Vm:<\/div>\n
\u062d\u064a\u062b H \u0647\u0648 \u062b\u0627\u0628\u062a \u0628\u0644\u0627\u0646\u0643 \u060c KB \u0647\u0648 \u062b\u0627\u0628\u062a \u0628\u0648\u0644\u062a\u0632\u0645\u0627\u0646 \u060c Va \u0647\u0648 \u0627\u0644\u062d\u062c\u0645 \u0627\u0644\u0630\u0631\u064a \u060c \u0648\u064a\u0645\u0643\u0646 \u062a\u062d\u062f\u064a\u062f V \u0628\u0648\u0627\u0633\u0637\u0629 \u0633\u0631\u0639\u0627\u062a \u0627\u0644\u0635\u0648\u062a \u0627\u0644\u0637\u0648\u0644\u064a\u0629 \u0648\u0627\u0644\u062c\u0627\u0646\u0628\u064a\u0629 vl \u0648 vt \u0627\u0644\u062a\u064a \u062a\u0645 \u0627\u0644\u062d\u0635\u0648\u0644 \u0639\u0644\u064a\u0647\u0627 \u0628\u0648\u0627\u0633\u0637\u0629 \u0645\u0639\u0627\u0645\u0644 \u0627\u0644\u0642\u0635 G \u0648\u0645\u0639\u0627\u0645\u0644 \u0627\u0644\u062d\u062c\u0645 B \u0641\u064a \u0645\u0639\u0627\u062f\u0644\u0629 Navier. .<\/div>\n
\u0639\u0644\u0649 \u0633\u0628\u064a\u0644 \u0627\u0644\u0645\u062b\u0627\u0644 \u060c Shuo Huang et al. \u062c\u0645\u0639\u062a \u0628\u064a\u0646 \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0644\u062a\u062d\u062f\u064a\u062f \u0627\u0644\u0645\u0639\u0644\u0645\u0627\u062a \u0627\u0644\u0645\u0631\u0646\u0629 \u0648\u0642\u0648\u0629 \u0627\u0644\u0634\u062f \u0627\u0644\u0645\u062b\u0627\u0644\u064a\u0629 \u0644\u0645\u0631\u062d\u0644\u0629 \u0627\u0644\u0645\u062d\u0644\u0648\u0644 \u0627\u0644\u0645\u0643\u0639\u0628 \u0627\u0644\u0635\u0644\u0628 \u0627\u0644\u0645\u0631\u0643\u0628 \u0639\u0644\u0649 \u062c\u0633\u0645 \u0627\u0644\u0633\u0628\u064a\u0643\u0629 FeCrCoMnAlx (0.6\u2264\u22641.5) \u0641\u064a \u0627\u0644\u0627\u062a\u062c\u0627\u0647 [001]. \u0627\u0644\u0646\u062a\u0627\u0626\u062c \u0645\u0648\u0636\u062d\u0629 \u0641\u064a \u0627\u0644\u0634\u0643\u0644 5. \u0636\u0645\u0646 \u0627\u0644\u0646\u0637\u0627\u0642 \u0627\u0644\u062a\u0631\u0643\u064a\u0628\u064a \u0627\u0644\u0645\u062f\u0631\u0648\u0633 \u060c \u0648\u062c\u062f \u0623\u0646 \u0628\u0646\u064a\u0629 \u0645\u062e\u0641\u064a\u0629 \u0630\u0627\u062a \u0637\u0627\u0642\u0629 \u0623\u0642\u0644 \u0645\u0646 \u0627\u0644\u062d\u0627\u0644\u0627\u062a \u0627\u0644\u0645\u063a\u0646\u0627\u0637\u064a\u0633\u064a\u0629 \u0627\u0644\u062d\u062f\u064a\u062f\u064a\u0629 \u0648\u0627\u0644\u062d\u0627\u0644\u0627\u062a \u0627\u0644\u0645\u063a\u0646\u0627\u0637\u064a\u0633\u064a\u0629 \u0644\u0647\u064a\u0627\u0643\u0644 fcc \u0648 hcp. \u0627\u0633\u062a\u0646\u0627\u062f\u064b\u0627 \u0625\u0644\u0649 \u062f\u0631\u062c\u0629 \u062d\u0631\u0627\u0631\u0629 \u0643\u0648\u0631\u064a \u0627\u0644\u0646\u0638\u0631\u064a\u0629 \u060c \u0645\u0646 \u0627\u0644\u0645\u062a\u0648\u0642\u0639 \u0623\u0646 \u062a\u0643\u0648\u0646 \u062c\u0645\u064a\u0639 \u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0645\u063a\u0646\u0637\u064a\u0633\u064a\u0629 \u062d\u062f\u064a\u062f\u064a\u0629 \u0641\u064a \u062f\u0631\u062c\u0629 \u062d\u0631\u0627\u0631\u0629 \u0627\u0644\u063a\u0631\u0641\u0629 \u060c \u0648\u0645\u0646 \u0627\u0644\u0645\u062a\u0648\u0642\u0639 \u0623\u0646 \u062a\u0643\u0648\u0646 \u0642\u0648\u0629 \u0627\u0644\u0634\u062f \u0627\u0644\u0645\u062b\u0627\u0644\u064a\u0629 \u0641\u064a \u0627\u0644\u0627\u062a\u062c\u0627\u0647 [001] 7.7 \u062c\u064a\u062c\u0627 \u0628\u0627\u0633\u0643\u0627\u0644 \u0628\u0623\u0642\u0635\u0649 \u0625\u062c\u0647\u0627\u062f \u064a\u0628\u0644\u063a \u062d\u0648\u0627\u0644\u064a 9%. \u064a\u0645\u0643\u0646 \u0632\u064a\u0627\u062f\u0629 \u0627\u0644\u0642\u0648\u0629 \u0639\u0646 \u0637\u0631\u064a\u0642 \u062e\u0641\u0636 \u062a\u0631\u0643\u064a\u0632 Al. [9].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 5 \u062b\u0627\u0628\u062a \u0645\u0631\u0646 \u060c \u062f\u0631\u062c\u0629 \u062d\u0631\u0627\u0631\u0629 Debye \u0648\u0645\u0646\u062d\u0646\u0649 \u0627\u0644\u0625\u062c\u0647\u0627\u062f \u0648\u0627\u0644\u0627\u0646\u0641\u0639\u0627\u0644 \u0644\u0633\u0628\u0627\u0626\u0643 FeCrCoMnAlx \u0639\u0627\u0644\u064a\u0629 \u0627\u0644\u0627\u0646\u062a\u0631\u0648\u0628\u064a\u0627<\/div>\n

\"\"<\/p>\n

\u062d\u0633\u0627\u0628 \u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0633\u0637\u062d \u0623\u0648 \u0627\u0644\u0648\u0627\u062c\u0647\u0629<\/h2>\n
\u0641\u064a \u0627\u0644\u0622\u0648\u0646\u0629 \u0627\u0644\u0623\u062e\u064a\u0631\u0629 \u060c \u064a\u0648 \u0644\u0648 \u0648\u0622\u062e\u0631\u0648\u0646. \u0627\u0633\u062a\u062e\u062f\u0645\u062a \u0645\u0627\u062f\u0629 Sn9Zn-1Al2O3-xCu \u0644\u062d\u0634\u0648 \u0627\u0644\u0644\u062d\u0627\u0645 \u0628\u0627\u0644\u0646\u062d\u0627\u0633 \u0627\u0644\u0645\u0631\u0643\u0628 \u0644\u0644\u0646\u062d\u0627\u0633 6061 \u0633\u0628\u064a\u0643\u0629 \u0627\u0644\u0623\u0644\u0648\u0645\u0646\u064a\u0648\u0645 \u060c \u0648\u062f\u0631\u0633 \u062a\u0623\u062b\u064a\u0631 \u0625\u0636\u0627\u0641\u0629 \u0639\u0646\u0635\u0631 \u0627\u0644\u0646\u062d\u0627\u0633 \u0648\u062c\u0632\u064a\u0626\u0627\u062a Al2O3 \u0639\u0644\u0649 \u0623\u062f\u0627\u0621 \u0627\u0644\u0644\u062d\u0627\u0645 \u0628\u0627\u0644\u0646\u062d\u0627\u0633. \u0627\u0633\u062a\u0646\u0627\u062f\u064b\u0627 \u0625\u0644\u0649 \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 (DFT) \u0648 GGA-PBE \u060c \u062a\u0645 \u0625\u062c\u0631\u0627\u0621 \u062d\u0633\u0627\u0628\u0627\u062a \u0627\u0644\u0645\u0628\u0627\u062f\u0626 \u0627\u0644\u0623\u0648\u0644\u0649 \u0639\u0644\u0649 \u0627\u0644\u0628\u0646\u064a\u0629 \u0627\u0644\u0628\u064a\u0646\u064a\u0629 \u0648\u0627\u0644\u0637\u0627\u0642\u0629 \u0627\u0644\u0628\u064a\u0646\u064a\u0629 \u0648\u0632\u0627\u0648\u064a\u0629 \u0627\u0644\u062a\u0644\u0627\u0645\u0633 \u0648\u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a\u0629 \u0644\u0640 Al2O3 \/ Sn9Zn. \u062a\u0638\u0647\u0631 \u0627\u0644\u062d\u0633\u0627\u0628\u0627\u062a \u0623\u0646 Sn9Zn-1Al2O3-4.5Cu \u0648 Sn9Zn-1Al2O3-6Cu \u0644\u0647\u0645\u0627 \u0628\u0646\u064a\u0629 \u0645\u0633\u062a\u0642\u0631\u0629 \u060c \u0648\u0627\u0644\u0646\u062a\u0627\u0626\u062c \u0627\u0644\u0645\u0642\u0627\u0628\u0644\u0629 \u0645\u0648\u0636\u062d\u0629 \u0641\u064a \u0627\u0644\u0634\u0643\u0644\u064a\u0646 6 \u0648 7 [10].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 6. \u0637\u0627\u0626\u0631\u0627\u062a \u0643\u0641\u0627\u0641 \u0630\u0627\u062a \u0627\u062e\u062a\u0644\u0627\u0641\u0627\u062a \u0645\u062e\u062a\u0644\u0641\u0629 \u0641\u064a \u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0634\u062d\u0646 \u0644\u0644\u0647\u064a\u0627\u0643\u0644 \u0627\u0644\u0645\u062e\u062a\u0644\u0641\u0629: \uff08a\uff09 Sn9Zn - 1Al2O3 \uff0c \uff08b\uff09 Sn9Zn - 1Al2O3-4.5Cu<\/div>\n

\"\"<\/p>\n

\u0627\u0644\u0634\u0643\u0644 7 \u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u062d\u0627\u0644\u0629 \u0627\u0644\u0645\u062d\u0644\u064a\u0629 \u0644\u0644\u0647\u064a\u0627\u0643\u0644 \u0627\u0644\u0645\u062e\u062a\u0644\u0641\u0629: \uff08a\uff09 Sn9Zn-1Al2O3 \u060c (\u0628) Sn9Zn-1Al2O3-4.5Cu<\/div>\n

\"\"<\/p>\n

\u062a\u0637\u0628\u064a\u0642\u0627\u062a \u0623\u062e\u0631\u0649<\/h2>\n
\u0639\u0644\u0649 \u0633\u0628\u064a\u0644 \u0627\u0644\u0645\u062b\u0627\u0644 \u060c Kulwinder Kaur et al. \u0627\u0633\u062a\u062e\u062f\u0645\u062a \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u0648\u0638\u064a\u0641\u064a\u0629 (DFT) \u0648\u0646\u0638\u0631\u064a\u0629 \u0627\u0646\u062a\u0642\u0627\u0644 \u0628\u0648\u0644\u062a\u0632\u0645\u0627\u0646 \u0644\u062f\u0631\u0627\u0633\u0629 \u0627\u0644\u062e\u0648\u0627\u0635 \u0627\u0644\u0643\u0647\u0631\u0648\u062d\u0631\u0627\u0631\u064a\u0629 \u0639\u0627\u0644\u064a\u0629 \u0627\u0644\u062d\u0631\u0627\u0631\u0629 \u0644\u0640 fcc HfRhSb. \u064a\u0648\u0636\u062d \u0627\u0644\u0634\u0643\u0644\u0627\u0646 8 \u0648 9 \u0628\u0646\u064a\u0629 \u0646\u0637\u0627\u0642 \u0627\u0644\u0637\u0627\u0642\u0629 \u0627\u0644\u0645\u062d\u0633\u0648\u0628\u0629 \u0648\u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u062d\u0627\u0644\u0627\u062a \u060c \u0628\u0627\u0644\u0625\u0636\u0627\u0641\u0629 \u0625\u0644\u0649 \u0628\u0639\u0636 \u0627\u0644\u0645\u0639\u0644\u0645\u0627\u062a \u0627\u0644\u0641\u064a\u0632\u064a\u0627\u0626\u064a\u0629. \u062a\u0628\u062f\u0623 \u0646\u0638\u0631\u064a\u0629 \u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0625\u0631\u0633\u0627\u0644 \u0628\u062d\u0633\u0627\u0628 \u0628\u0646\u064a\u0629 \u0627\u0644\u0646\u0637\u0627\u0642 \u060c \u0648\u0646\u0638\u0631\u064a\u0629 \u0627\u0646\u062a\u0642\u0627\u0644 \u0628\u0648\u0644\u062a\u0632\u0645\u0627\u0646 \u0641\u064a \u0627\u0644\u0646\u0637\u0627\u0642 \u0627\u0644\u0635\u0644\u0628 \u0648\u062a\u0642\u0631\u064a\u0628 \u0648\u0642\u062a \u0627\u0644\u0627\u0633\u062a\u0631\u062e\u0627\u0621 \u0627\u0644\u062b\u0627\u0628\u062a (RTA). \u064a\u0639\u062f \u062a\u0642\u0631\u064a\u0628 \u0646\u0637\u0627\u0642 \u0627\u0644\u0623\u062f\u0627\u0621 \u0627\u0644\u0635\u0644\u0628 (RBA) \u0623\u062f\u0627\u0629 \u0641\u0639\u0627\u0644\u0629 \u0644\u062f\u0631\u0627\u0633\u0629 \u0627\u0644\u0639\u0644\u0627\u0642\u0629 \u0628\u064a\u0646 \u0628\u0646\u064a\u0629 \u0627\u0644\u0646\u0637\u0627\u0642 \u0648\u0627\u0644\u0627\u0633\u062a\u062c\u0627\u0628\u0629 \u0627\u0644\u0643\u0647\u0631\u0648\u062d\u0631\u0627\u0631\u064a\u0629 [11].<\/div>\n
\u0627\u0644\u0634\u0643\u0644 8 (\u0623) \u0647\u064a\u0643\u0644 \u0646\u0637\u0627\u0642 \u0627\u0644\u0637\u0627\u0642\u0629 (\u0628) \u0643\u062b\u0627\u0641\u0629 \u0627\u0644\u062d\u0627\u0644\u0629 \u0627\u0644\u0645\u062d\u0644\u064a\u0629 \u0627\u0644\u0643\u0627\u0645\u0644\u0629 (\u062c) \u062a\u0634\u062a\u062a \u0627\u0644\u0641\u0648\u0646\u0648\u0646 (\u062f) \u0641\u0648\u0646\u0648\u0646 DOS<\/div>\n

\"\"<\/p>\n

\u0634\u0643\u0644 9 \u0645\u0639\u0627\u0645\u0644 \u0633\u064a\u0628\u064a\u0643 \u060c \u0627\u0644\u062a\u0648\u0635\u064a\u0644 \u060c \u0627\u0644\u062a\u0648\u0635\u064a\u0644 \u0627\u0644\u062d\u0631\u0627\u0631\u064a \u0648\u0627\u0644\u0643\u0641\u0627\u0621\u0629 \u0627\u0644\u0643\u0647\u0631\u0648\u062d\u0631\u0627\u0631\u064a\u0629 ZT \u0643\u062f\u0627\u0644\u0629 \u0644\u062f\u0631\u062c\u0629 \u0627\u0644\u062d\u0631\u0627\u0631\u0629<\/div>\n

\"\"<\/p>\n

\u0627\u0644\u0645\u0631\u062c\u0639\u064a<\/h2>\n
1. Heisenberg W. \u0625\u0639\u0627\u062f\u0629 \u062a\u0641\u0633\u064a\u0631 \u0646\u0638\u0631\u064a\u0629 \u0627\u0644\u0643\u0645 \u0644\u0644\u0639\u0644\u0627\u0642\u0627\u062a \u0627\u0644\u062d\u0631\u0643\u064a\u0629 \u0648\u0627\u0644\u0645\u064a\u0643\u0627\u0646\u064a\u0643\u064a\u0629 [J]. Z \u0641\u064a\u0632 \u060c 1925 \u060c 33: 879<\/div>\n
2.Schrodinger E \u060c Quantisierung als eigenwertproblem I [J]. \u0622\u0646 \u062f\u064a\u0631 \u0641\u064a\u0632 \u060c 1926 \u060c 9: 361<\/div>\n
3. Hohenberg P\u060c Kohn W. \u063a\u0627\u0632 \u0625\u0644\u0643\u062a\u0631\u0648\u0646 \u063a\u064a\u0631 \u0645\u062a\u062c\u0627\u0646\u0633 [J]. \u0627\u0644\u0642\u0633 \u0641\u064a\u0632 \u0628 \u060c 1964 \u060c 136 (3): 864<\/div>\n
4.Kohn W\u060c Sham L J. \u0645\u0639\u0627\u062f\u0644\u0627\u062a \u0645\u062a\u0633\u0642\u0629 \u0630\u0627\u062a\u064a\u064b\u0627 \u0628\u0645\u0627 \u0641\u064a \u0630\u0644\u0643 \u0622\u062b\u0627\u0631 \u0627\u0644\u062a\u0628\u0627\u062f\u0644 \u0648\u0627\u0644\u0627\u0631\u062a\u0628\u0627\u0637 [J]. \u0641\u064a\u0632 \u0631\u064a\u0641 \u0623 \u060c 1965 \u060c 140 (4): 1133<\/div>\n
5.Leineweber \u060c T. Hickel \u060c B. Azimi-Manavi \u060c SB Maisel \uff0c \u0627\u0644\u0647\u064a\u0627\u0643\u0644 \u0627\u0644\u0628\u0644\u0648\u0631\u064a\u0629 \u0644\u0640 Fe4C \u0645\u0642\u0627\u0628\u0644 Fe4N \u0627\u0644\u062a\u064a \u062a\u0645 \u062a\u062d\u0644\u064a\u0644\u0647\u0627 \u0628\u0648\u0627\u0633\u0637\u0629 \u062d\u0633\u0627\u0628\u0627\u062a DFT: \u062a\u0645 \u0627\u0633\u062a\u0643\u0634\u0627\u0641 \u0627\u0644\u0647\u064a\u0627\u0643\u0644 \u0627\u0644\u0641\u0648\u0642\u064a\u0629 \u0627\u0644\u062e\u0644\u0627\u0644\u064a\u0629 \u0627\u0644\u0645\u0633\u062a\u0646\u062f\u0629 \u0625\u0644\u0649 Fcc [J] \u060c Acta Materialia 140 (2017) 433-442<\/div>\n
6.Zhilin Li \u0648 Chunyang Xia \u0648 Zhengping Zhang \u0648 Meiling Dou \u0648 Jing Ji \u0648 Ye Song \u0648 Jingjun Liu \u0648 Feng Wang \uff0c \u062f\u0631\u0627\u0633\u0629 \u0623\u0648\u0644\u064a\u0629 \u062d\u0648\u0644 \u0627\u0633\u062a\u0642\u0631\u0627\u0631 \u0637\u0648\u0631 \u0627\u0644\u0643\u0633\u062a\u0631\u064a\u062a Cu2ZnSnS4 \u0644\u0644\u062e\u0644\u0627\u064a\u0627 \u0627\u0644\u0634\u0645\u0633\u064a\u0629 \u0630\u0627\u062a \u0627\u0644\u0623\u063a\u0634\u064a\u0629 \u0627\u0644\u0631\u0642\u064a\u0642\u0629 \u0628\u062a\u0643\u0648\u064a\u0646 \u063a\u064a\u0631 \u0645\u062a\u0643\u0627\u0641\u0626 [J] \uff0c \u0645\u062c\u0644\u0629 \u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0648\u0627\u0644\u0645\u0631\u0643\u0628\u0627\u062a 768 (2018) 644-651<\/div>\n
7.\u0628\u0646\u0643\u0627\u0628\u0648 \u060c \u0631\u0627\u0634\u062f \u060c \u0639\u0628\u062f \u0627\u0644\u0644\u0647 \u060c \u062f. \u0631\u0627\u0634\u062f \u060c \u0631. \u062e\u0646\u0627\u062a\u0629 \u060c \u0645\u062d\u0645\u062f \u0627\u0644\u0623\u062d\u0645\u0631 \u060c \u0628. \u0639\u0628\u064a\u062f\u0631\u064a \u060c \u0646. \u0628\u0646 \u062e\u064a\u062a\u0648 \u060c \u0633. \u0628\u0646 \u0639\u0645\u0631\u0627\u0646 \uff0c \u0627\u0644\u062a\u0631\u0643\u064a\u0628 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a \u0648\u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0645\u063a\u0646\u0627\u0637\u064a\u0633\u064a\u0629 \u0644\u0633\u0628\u0627\u0626\u0643 Heusler \u0627\u0644\u0631\u0628\u0627\u0639\u064a\u0629 CoRhMnZ (Z = Al \u0648 Ga \u0648 Ge \u0648 Si) \u0639\u0628\u0631 \u062d\u0633\u0627\u0628\u0627\u062a \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 [J] \uff0c \u0645\u062c\u0644\u0629 \u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0648\u0627\u0644\u0645\u0631\u0643\u0628\u0627\u062a 647 (2015) 276-286<\/div>\n
8.Huijin Song \u0648 Peng Gu \u0648 Xinghua Zhu \u0648 Qiang Yan \u0648 Dingyu Yang \u062f\u0631\u0627\u0633\u0629 \u062d\u0648\u0644 \u0627\u0644\u062a\u0631\u0643\u064a\u0628 \u0627\u0644\u0625\u0644\u0643\u062a\u0631\u0648\u0646\u064a \u0648\u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0628\u0635\u0631\u064a\u0629 \u0644\u0623\u0641\u0644\u0627\u0645 TiN \u0627\u0633\u062a\u0646\u0627\u062f\u064b\u0627 \u0625\u0644\u0649 \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 [J] \uff0c Physica B: Condensed Matter 545 (2018) 197-202<\/div>\n
9.\u0634\u0648 \u0647\u0648\u0627\u0646\u063a \u060c \u0634\u064a\u0627\u0648 \u062a\u0634\u064a\u0646\u063a \u0644\u064a \u060c \u0647\u064a \u0647\u0648\u0627\u0646\u063a \u060c \u0625\u0631\u064a\u0643 \u0647\u0648\u0644\u0645\u0633\u062a\u0631\u0648 \u060c \u0644\u064a\u0641\u064a\u0646\u062a\u064a \u0641\u064a\u062a\u0648\u0633 \u060c \u0627\u0644\u0623\u062f\u0627\u0621 \u0627\u0644\u0645\u064a\u0643\u0627\u0646\u064a\u0643\u064a \u0644\u0633\u0628\u0627\u0626\u0643 FeCrCoMnAlx \u0639\u0627\u0644\u064a\u0629 \u0627\u0644\u0627\u0646\u062a\u0631\u0648\u0628\u064a\u0627 \u0645\u0646 \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 [J] \u060c \u0643\u064a\u0645\u064a\u0627\u0621 \u0627\u0644\u0645\u0648\u0627\u062f \u0648\u0627\u0644\u0641\u064a\u0632\u064a\u0627\u0621 210 (2018) 37-42<\/div>\n
10.Yu Lu \u0648 Le Ma \u0648 Shu-yong Li \u0648 Wei Zuo \u0648 Zhi-qiang Ji \u0648 Min Ding \uff0c \u062a\u0623\u062b\u064a\u0631 \u0625\u0636\u0627\u0641\u0629 \u0639\u0646\u0635\u0631 \u0627\u0644\u0646\u062d\u0627\u0633 \u0639\u0644\u0649 \u0627\u0644\u0633\u0644\u0648\u0643 \u0627\u0644\u0628\u064a\u0646\u064a \u0648\u0627\u0644\u062e\u0635\u0627\u0626\u0635 \u0627\u0644\u0645\u064a\u0643\u0627\u0646\u064a\u0643\u064a\u0629 \u0644\u0633\u0628\u0627\u0626\u0643 \u0627\u0644\u0623\u0644\u0648\u0645\u0646\u064a\u0648\u0645 Sn9Zn-1Al2O3 \u0627\u0644\u0644\u062d\u0627\u0645 6061: \u062d\u0633\u0627\u0628\u0627\u062a \u0627\u0644\u0645\u0628\u062f\u0623 \u0627\u0644\u0623\u0648\u0644 \u0648 \u0627\u0644\u0628\u062d\u062b \u0627\u0644\u062a\u062c\u0631\u064a\u0628\u064a [J] \uff0c \u0645\u062c\u0644\u0629 \u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0648\u0627\u0644\u0645\u0631\u0643\u0628\u0627\u062a 765 (2018) 128-139<\/div>\n
11.Kulwinder Kaur \u060c Ranjan Kumar \u060c DP Rai \u060c \u0627\u0633\u062a\u062c\u0627\u0628\u0629 \u0643\u0647\u0631\u0648\u062d\u0631\u0627\u0631\u064a\u0629 \u0648\u0627\u0639\u062f\u0629 \u0644\u0645\u0631\u0643\u0628 HfRhSb \u0646\u0635\u0641 Heusler \u0639\u0646\u062f \u062f\u0631\u062c\u0629 \u062d\u0631\u0627\u0631\u0629 \u0639\u0627\u0644\u064a\u0629: \u062f\u0631\u0627\u0633\u0629 \u0623\u0648\u0644\u064a\u0629 [J] \u060c \u0645\u062c\u0644\u0629 \u0627\u0644\u0633\u0628\u0627\u0626\u0643 \u0648\u0627\u0644\u0645\u0631\u0643\u0628\u0627\u062a 763 (2018) 1018-1023<\/div>\n<\/div>\n<\/div>\n

<\/p>","protected":false},"excerpt":{"rendered":"

The first principle is actually a philosophical term put forward by the ancient Greek philosopher Aristotle: there is a basic proposition in each system, which cannot be violated or deleted.The first principle is actually a philosophical term put forward by the ancient Greek philosopher Aristotle: there is a basic proposition in each system, which cannot…<\/p>","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[79],"tags":[],"class_list":["post-1785","post","type-post","status-publish","format-standard","hentry","category-materials-weekly"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/posts\/1785","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/comments?post=1785"}],"version-history":[{"count":0,"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/posts\/1785\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/media?parent=1785"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/categories?post=1785"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.meetyoucarbide.com\/ar\/wp-json\/wp\/v2\/tags?post=1785"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}