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Using the full-potential linearized augmented plane wave method based on the density functional theory, spin-polarized calculations of electronic structure for the zinc-blende CrS and CrSe are performed. Zinc-blende CrS and CrSe at their respective equilibrium lattice constants are half-metallic with the same total magnetic moment of 4.00B. The electronic structures of zinc-blende CrS and CrSe are calculated under uniform strains from -10% to +10% relative to the equilibrium lattice constant. The calculated results indicate that zinc-blende CrS and CrSe can maintain half-metallic ferromagnetism and keep the same total magnetic moment of 4.00B from -1% to 10% and from -4% to 10% uniform strain, respectively.
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Keywords:
- uniform strain /
- electronic structure /
- half-metallicity /
- magnetism
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[59] -
[1] de Groot R A, Mueller F M, van Engen P G, Buschow K H J 1983 Phys. Rev. Lett. 50 2024
[2] Yanase A, Siratori K 1984 J. Phys. Soc. Jpn. 53 312
[3] [4] [5] Zhang M, Dai X, Hu H, Liu G, Cui Y, Liu Z, Chen J, Wang J, Wu G 2003 J. Phys.: Condens. Matter 15 7891
[6] Galanakis I 2004 J. Phys.: Condens. Matter 16 3089
[7] [8] [9] Schwarz K 1986 J. Phys. F 16 L211
[10] Xie W H, Xu Y Q, Liu B G 2003 Phys. Rev. Lett. 91 037204
[11] [12] Ozdogan K, Galanakis I, Sasıoglu E, Aktas B 2006 J. Phys.: Condens. Matter 18 2905
[13] [14] Galanakis I, Dederichs P H, Papanikolaou N 2002 Phys. Rev. B 66 134428
[15] [16] [17] Kobayashi K I, Kimura T, Sawada H, Terakura K, Tokura Y 1998 Nature 395 677
[18] [19] Yao K L, Gao G Y, Liu Z L, Zhu L 2005 Solid State Commun. 133 301
[20] Yao Z, Gong S, Fu J, Zhang Y S, Yao K L 2010 Solid State Commun. 150 2239
[21] [22] [23] Watts S M, Wirth S, von Molnar S, Barry A, Coey J M D 2000 Phys. Rev. B 61 9621
[24] [25] Soeya S, Hayakawa J, Takahashi H, Ito K, Yamamoto C, Kida A, Asano H, Matsui M 2002 Appl. Phys. Lett. 80 823
[26] [27] Kato H, Okuda T, Okimoto Y, Tomioka Y, Takenoya Y, Ohkubo A, Kawasaki M, Tokuraa Y 2002 Appl. Phys. Lett. 81 328
[28] Soulen R J Jr, Byers J M, Osofsky M S, Nadgorny B, Ambrose T, Cheng S F, Broussard P R, Tanaka C T, Nowak J, Moodera J S, Barry A, Coey J M D 1998 Science 282 85
[29] [30] Yu D B, Feng J F, Du Y S, Han X F, Yan H, Ying Q M, Zhang G C 2005 Acta Phys. Sin. 54 4903 (in Chinese) [于敦 波、丰家峰、杜永胜、韩秀峰、严 辉、应启明、张国成 2005 54 4903]
[31] [32] [33] Zhao J J, Qi X, Liu E K, Zhu W, Qian J F, Li G J, Wang W H, Wu G H 2011 Acta Phys. Sin. 60 047108 (in Chinese) [赵晶晶、祁 欣、刘恩克、朱 伟、钱金凤、李贵江、王文洪、吴光恒 2011 60 047108]
[34] [35] Sakuraba Y, Hattori M, Oogane M, Ando Y, Kato H, Sakuma A, Miyazaki T, Kubota H 2006 Appl. Phys. Lett. 88 192508
[36] [37] Akinga H, Manago T, Shirai M 2000 Jpn. J. Appl. Phys. 39 L1118
[38] Zhao J H, Matsukura F, Takamura K, Abe E, Chiba D, Ohno H 2001 Appl. Phys. Lett. 79 2776
[39] [40] Liu B G 2003 Phys. Rev. B 67 172411
[41] [42] [43] Wolf S A, Awsclom D D, Buhrman R A, Daughton J M, von Molnar S, Roukes M L, Chtchelkanova A Y, Treger D M 2001 Science 294 1488
[44] [45] Zntic I, Fabian J, Sarma S D 2004 Rev. Mod. Phys. 76 323
[46] Naber W J M, Faez S, Gvan der Wie W 2007 J. Phys. D 40 R205
[47] [48] Deng J J, Zhao J H, Bi J F, Niu Z C, Yang F H, Wu X G, Zheng H Z 2006 J. Appl. Phys. 99 093902
[49] [50] [51] Mavropoulos P, Galanakis I 2007 J. Phys.: Condens. Matter 19 315221
[52] [53] Blaha P, Schwarz K, Soarntin P, Trickey S B 1990 Comput. Phys. Commun. 59 399
[54] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[55] [56] Galanakis I, Mavropoulos P 2003 Phys. Rev. B 67 104417
[57] [58] Sasıoglu E, Galanakis I, Sandratskii L M, Bruno P 2005 J. Phys.: Condens. Matter 17 3915
[59]
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