Electronic structures and magnetisms of the Co2TiSb1-xSnx (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

doi:10.1088/1674-1056/24/12/126201

中国物理B ›› 2015, Vol. 24 ›› Issue (12): 126201-126201.doi: 10.1088/1674-1056/24/12/126201

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

王立英^{a b}, 代学芳^b, 王啸天^b, 林婷婷^a, 陈磊^a, 刘然^a, 崔玉亭^a, 刘国栋^{a b}

a School of Physics and Electronic Engineering, Chongqing Normal University, Chongqing 400044, China;
b School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China

收稿日期:2015-05-05 修回日期:2015-08-16 出版日期:2015-12-05 发布日期:2015-12-05
通讯作者: Liu Guo-Dong E-mail:gdliu1978@126.com
基金资助:
Project supported by the Chongqing City Funds for Distinguished Young Scientists, China (Grant No. cstc2014jcyjjq50003), the Basic and Frontier Research Project of Chongqing City, China (Grant No. cstc2013jjB50001), the Project of Chongqing Normal University, China (Grant No. 13XLB030), and the Project of Scientific Research for High Level Talent in Colleges and Universities of Hebei Province, China (Grant No. GCC2014042).

Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

Wang Li-Ying (王立英)^{a b}, Dai Xue-Fang (代学芳)^b, Wang Xiao-Tian (王啸天)^b, Lin Ting-Ting (林婷婷)^a, Chen Lei (陈磊)^a, Liu Ran (刘然)^a, Cui Yu-Ting (崔玉亭)^a, Liu Guo-Dong (刘国栋)^{a b}

a School of Physics and Electronic Engineering, Chongqing Normal University, Chongqing 400044, China;
b School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China

Received:2015-05-05 Revised:2015-08-16 Online:2015-12-05 Published:2015-12-05
Contact: Liu Guo-Dong E-mail:gdliu1978@126.com
Supported by:
Project supported by the Chongqing City Funds for Distinguished Young Scientists, China (Grant No. cstc2014jcyjjq50003), the Basic and Frontier Research Project of Chongqing City, China (Grant No. cstc2013jjB50001), the Project of Chongqing Normal University, China (Grant No. 13XLB030), and the Project of Scientific Research for High Level Talent in Colleges and Universities of Hebei Province, China (Grant No. GCC2014042).

摘要/Abstract

摘要： The total energy, electronic structures, and magnetisms of the AlCu₂Mn-type Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) with the different lattice parameter ratios of c/a are studied by using the first-principles calculations. It is found that the phase transformation from the cubic to the tetragonal structure lowers the total energy, indicating that the martensitic phase is more stable and that a phase transition from austenite to martensite may happen at a lower temperature. Thus, a ferromagnetic shape memory effect can be expected to occur in these alloys. The AlCu₂Mn-type Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) alloys are weak ferrimagnets in the austenitic phase and martensitic phase.

关键词: Heusler alloy, martensitic transformation, ferromagnetic shape memory alloy

Abstract: The total energy, electronic structures, and magnetisms of the AlCu₂Mn-type Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) with the different lattice parameter ratios of c/a are studied by using the first-principles calculations. It is found that the phase transformation from the cubic to the tetragonal structure lowers the total energy, indicating that the martensitic phase is more stable and that a phase transition from austenite to martensite may happen at a lower temperature. Thus, a ferromagnetic shape memory effect can be expected to occur in these alloys. The AlCu₂Mn-type Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) alloys are weak ferrimagnets in the austenitic phase and martensitic phase.

Key words: Heusler alloy, martensitic transformation, ferromagnetic shape memory alloy

中图分类号: (Shape-memory effect; yield stress; superelasticity)

62.20.fg

63.20.dk (First-principles theory) 31.10.+z (Theory of electronic structure, electronic transitions, and chemical binding)

王立英, 代学芳, 王啸天, 林婷婷, 陈磊, 刘然, 崔玉亭, 刘国栋. Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior[J]. 中国物理B, 2015, 24(12): 126201-126201.

Wang Li-Ying (王立英), Dai Xue-Fang (代学芳), Wang Xiao-Tian (王啸天), Lin Ting-Ting (林婷婷), Chen Lei (陈磊), Liu Ran (刘然), Cui Yu-Ting (崔玉亭), Liu Guo-Dong (刘国栋). Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior[J]. Chin. Phys. B, 2015, 24(12): 126201-126201.

参考文献 42

[1]	Webster P J, Ziebeck K R A, Town S L and Peak M S 1984 Philos. Mag. B 49 295
[2]	Ullakko K, Huang J K, Kantner C, O'Handley R C and Kokorin V V 1996 Appl. Phys. Lett. 69 1966
[3]	Wu G H, Yu C H, Meng L Q, Chen J L, Yang F M, Qi S R, Zhan W S, Wang Z, Zheng Y F and Zhao L C 1999 Appl. Phys. Lett. 75 2990
[4]	Liu Z H, Zhang M, Cui Y T, Zhou Y Q, Wang W H, Wu G H and Zhang X X 2003 Appl. Phys. Lett. 82 424
[5]	Wuttig M, Li J and Craciunescu C 2001 Scr. Mater. 44 2393.
[6]	Morito H, Fujita A, Kainuma R and Ishida K 2002 Appl. Phys. Lett. 81 1657
[7]	Karaca H E, Karaman I, Lagoudas D C, Maier H J and Chumlyakov Y I 2003 Scr. Mater. 49 831
[8]	Liu G D, Chen J L, Liu Z H, Dai X F, Wu G H, Zhang B and Zhang X X 2005 Appl. Phys. Lett. 87 262504
[9]	Sánchez Llamazares J L, Sanchez T, Santos J D, Pérez M J, Sanchez M L, Hernando B, Escoda L L, Suñol J J and Varga R 2008 Appl. Phys. Lett. 92 012513
[10]	Feng L, Ma L, Liu E K, Wu G H, Wang W H and Zhang W X 2012 Appl. Phys. Lett. 100 152401
[11]	Sutou Y, Imano Y, Koeda N, Omori T, Kainuma R, Ishid K and Oikawa K 2004 Appl. Phys. Lett. 85 4358
[12]	Kainuma R, Imano Y, Ito W, Sutou Y, Morito H, Okamoto S, Kitakami O, Oikawa K, Fujita A, Kanomata T and Ishida K 2006 Nature 439 957
[13]	Zhang Y Z, Cao J M, Tan C L, Cao Y J and Cai W 2014 Chin. Phys. B 23 037504
[14]	Luo H Z, Jia P Z, Liu G D, Meng F B, Liu H Y, Liu E K, Wang W H and Wu G H 2013 Solid State Commun. 170 44
[15]	Ullakko K, Huang J K, Kantner C, O'Handley R C and Kokorin V V 1996 Appl. Phys. Lett. 69 1966
[16]	James R D and Wuttig M 1998 Phil. Mag. A 77 1273
[17]	Wu G H, Yu C H, Meng L Q, Chen J L, Yang F M, Qi S R, Zhan W S, Wang Z, Zheng Y F and Zhao L C 1999 Appl. Phys. Lett. 75 2990
[18]	Fujita A, Fukamichi K, Gejima F, Kainuma R and Ishida K 2000 Appl. Phys. Lett. 77 3054
[19]	Oikawa K, Ota T, Ohmori T, Tanaka Y, Morito H, Fujita A, Kainuma R, Fukamichi K and Ishida K 2002 Appl. Phys. Lett. 81 5201
[20]	Kakeshita T, Takeuchi T, Fukuda T, Tsujiguchi M, Saburi T, Oshima R and Muto S 2000 Appl. Phys. Lett. 77 1502
[21]	Yu S Y, Liu Z H, Liu G D, Chen J L, Cao Z X, Wu G H, Zhang B and Zhang X X 2006 Appl. Phys. Lett. 89 162503
[22]	Barandiarán J M, Chernenko V A, Lázpita P, Gutiérrez J and Feuchtwanger J 2009 Phys. Rev. B 80 104404
[23]	Krenke T, Duman E, Acet M, Wassermann E F, Moya X, Manosa L and Planes A 2005 Nat. Mater. 4 450
[24]	Ma L, Wang W H, Lu J B, Li J Q, Zhen C M, Hou D L and Wu G H 2011 Appl. Phys. Lett. 99 182507
[25]	Oikawa K, Wulff L, Iijima T, Gejima F, Ohmori T, Fujita A, Fukamichi K, Kainuma R and Ishida K 2001 Appl. Phys. Lett. 79 3290
[26]	Webster P J and Ziebeck K R A 1973 J. Phys. Chem. Solids 34 1647
[27]	Lee S C, Lee T D, Blaha P and Schwarz K 2005 J. Appl. Phys. 97 10C307
[28]	Rai D P and Thapa R K 2013 Chin. J. Phys. 51 812
[29]	Payne M C, Teter M P, Allan D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
[30]	Segall M D, Lindan P L D, Probert M J, Pickard C J, Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
[31]	Vanderbilt D 1990 Phys. Rev. B 41 78
[32]	Webster P 1969 Contemp. Phys. 10 559
[33]	Kandpal H C, Fecher G H and Felser C 2007 J. Phys. D: Appl. Phys. 40 1507
[34]	Liu G D, Dai X F, Yu S Y, Zhu Z Y, Chen J L, Wu G H, Zhu H and Xiao J Q 2006 Phys. Rev. B 74 054435
[35]	Luo H Z, Meng F B, Feng Z Q, Li Y X, Zhu W, Wu G H, Zhu X X, Jiang C B and Xu H B 2010 J. Appl. Phys. 107 013905
[36]	Entel P, Dannenberg A, Siewert M, Herper H C, Gruner M E, Comtesse D, Elmers H J and Kallmayer M 2012 Metall. Mater. Trans. A 43A 2891
[37]	Sahariah M B, Ghosh S, Singh C S, Gowtham S and Pandey R 2013 J. Phys.: Condens. Matter 25 025502
[38]	Felser C, Alijani V, Winterlik J, Chadov S and Nayak A K 2013 IEEE Trans. Magn. 49 682
[39]	Xu J H, Oguchi T and Freeman A J 1987 Phys. Rev. B 36 4186
[40]	Tobola J and Pierre J 2000 J. Alloys Compd. 296 243
[41]	Ye M, Kimura A, Miura Y, Shirai M, Cui Y T, Shimada K, Namatame H, Taniguchi M, Ueda S, Kobayashi K, Kainuma R, Shishido T, Fukushima K and Kanomata T 2010 Phys. Rev. Lett. 104 176401
[42]	Fujii S, Ishida S and Asano S 1989 J. Phys. Soc. Jpn. 58 3657

Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

Electronic structures and magnetisms of the Co₂TiSb_1-xSn_x (x=0, 0.25, 0.5) Heusler alloys: A theoretical study of the shape-memory behavior

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