First-principle study of magnetic shape memory effect of Mn2RhZ(Z=In, Sn, Sb)Heusler alloy

doi:10.3969/j.issn.1000-1565.2019.06.005

Abstract

Abstract: The electronic structure and magnetic structure optimization on cubic austenitic Mn₂RhZ(Z=In, Sn, Sb)alloy in Cu₂MnAl and the Hg₂CuTi type structures have been investigated by using first principle calculations. In the austenitic phase, the Mn₂RhZ(Z=In, Sn, Sb)alloy of Hg₂CuTi type structure is more stable. With the tetragonal distortion, the global energy minimum occurs at c/a=1.38, 1.29, 1.29. The total magnetic moments of Mn₂RhZ(Z=In,Sn,Sb)mainly determined by the anti-parallel aligned Mn(A)and Mn(B)atoms spin moments. The magnetic moments of two Mn atoms in the Mn₂RhSb alloy in the austenite phase exhibit anti-parallel coupling, while the Mn₂RhZ(Z=In, Sn)in austenite and martensite phases and the Mn₂RhSb alloy in martensite phase are ferrimagnetic. The Mn₂RhZ(Z=In, Sn, Sb)alloys are potential materials with significant magnetic shape memory effect.

Key words: first principle calculations, martensitic transformations, magnetic shape memory

CLC Number:

O469

ZHANG Miao, ZHANG Lianshui. First-principle study of magnetic shape memory effect of Mn₂RhZ(Z=In, Sn, Sb)Heusler alloy[J]. Journal of Hebei University (Natural Science Edition), 2019, 39(6): 587-593.

References

[1] CHANG L C, READ T A. Plastic deformation and diffusionless phase changes in metals the gold-cadmium beta-phase[J]. Transactions AIME, 1951, 3: 47-52.
[2] SOZINOV A, LIKHACHEV A A, ULLAKKO K. Crystal structures and magnetic anisotropy properties of Ni-Mn-Ga martensitic phases with giant magnetic-field-induced strain [J]. IEEE Transactions on Magnetics, 2002, 39: 2814-2816. DOI: 10.1109/TMAG.2002.803567.
[3] ULLAKKO K,HUANG J K,KANTNER C, et al. Largemagnetic-field-induced strains in Ni₂MnGa single crystals[J]. Applied Physics Letters,1996,69:1966-1968. DOI:10.1063/1.117637.
[4] LIU Z H,ZHANG M,CUI Y T,et al. Martensitic transformation and shape memory effect in ferromagnetic Heusler alloy Ni₂FeGa[J]. Applied Physics Letters,2003,82:424. DOI:10.1063/1.1534612.
[5] FUJITA A,FUKAMICHI K,GEJIMA F,et al. Magnetic properties and large magnetic-field-induced strains in off-stoichometric Ni-Mn-Al Heusler alloys[J]. Applied Physics Letters,2001,77:3054-3056. DOI:10.1063/1.1323552.
[6] WUTTIG M,LI J,CRACIUNESCU C. A new ferromagnetic shape memory alloy system[J]. Scripta Materialia,2001,44:2393-2397. DOI:10.1016/s1359-6462(01)00939-3.
[7] OIKAWA K,WULFF L,IIJIMA T,et al. Promising ferromagnetic Ni-Co-Al shape memory alloy system[J]. Applied Physics Letters,2001,79:3290-3292. DOI:10.1063/1.1418259.
[8] SUTOU Y,IMANO Y,KOEDA N,et al. Magnetic and martensitic transformations of NiMnX(X=In, Sn, Sb)ferromagnetic shape memory alloys[J]. Applied Physics Letters,2004,85:4358-4360. DOI:10.1063/1.1808879.
[9] PAYNE M C,TETER M P,ALLAN D C,et al. Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients [J]. Review of Modern Physics,1992,64: 1075. DOI:10.1103/RevModPhys.64.1045.
[10] SEGALL M D,LINDAN P L D,PROBERT M J,et al. First-principles simulation: ideas, illustrations and the CASTEP code [J]. Journal of Physics Condensed Matter,2012,14(11):2717-2744. DOI:10.1088/0953-8984/14/11/301.
[11] VOSKO S H,WILK L,NUSAIR M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis [J]. Canadian Journal of Physics,1980,58(8):1200-1211. DOI:10.1139/p80-159.
[12] PERDEW J P,ZUNGEr A. Self-interaction correction to density-functional approximations for many-electron systems [J]. Physical Review B,1981,23(10):5048. DOI:10.1103/PhysRevB.23.5048.
[13] VANDERBILT D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism [J]. Physical Review B,1990,41(11):7892. DOI:10.1103/physrevb.41.7892.
[14] KANDPAL H C,FECHER G H,FELSER C. Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds [J]. Journal of Physics D Applied Physics,2007,40(6):1507-1523. DOI:10.1088/0022-3727/40/6/S01.
[15] NAYAK A K,NICKLAS M,CHADOV S,et al. Large zero-field cooled exchange-bias in bulk [J]. Physical Review Letters,2013,110:127204. DOI:10.1103/PhysRevLett.110.127204.
[16] FENG L,LIU E K,ZHANG W X,et al. First-principle investigation of electronic structure, magnetism and phase stability of Heusler-type Pt_{_</sub>_2-xMn_{_</sub>_1+xGa alloys[J]. Journal of Magnetism and Magnetic Materials,2015,377:40-43. DOI:10.1016/j.jmmm.2014.10.051.
[17] LI S T,LIU Y,REN Z,et al. Electronic structure and half-metallicity of Heusler alloy Mn₂RhAl[J]. International Journal of Modern Physics B, 2013, 27(27):1350161. DOI:10.3938/jkps.65.1059.
[18] ALIPPLI P,MARCUS P M,SCHEFFLER M. Strained tetragonal states and bain paths in metals[J]. Physical Review Letters,1997,78:3892. DOI:10.1103/PhysRevLett.78.3892.
[19] MARCUS P M,ALIPPLI P. Tetragonal states from epitaxial strain on metal films[J]. Physical Review B,1998,57:1971.DOI:10.1103/PhysRevB.57.1971.
[20] WINTERLIK J,CHADOV S,GUPTA A,et al. Design scheme of new tetragonal Heusler compounds for spin-transfer torque applications and its experimental realization[J]. Advanced Materials,2012(24):6283. DOI:10.1002/adma.201201879.
[21] SAHARIAH M B,GHOSH S,SINGH C S,et al. First-principles computation of structural, elastic and magnetic properties of Ni₂FeGa across the martensitic transformation[J].Journal of Physics: Condensed Matter,2013,25:025502. DOI:10.1088/0953-8984/25/2/025502.
[22] FELSER C,ALIJANI V,WINTERLIK J,et al. Tetragonal Heusler compounds for spintronics[J]. IEEE Transactions on Magnetics, 2013,49:682-685. DOI:10.1109/TMAG.2012.2223661.
[23] GELATT JR. C D,WILLIAMS R A,MORUZZI V L. Theory of bonding of transition metals to nontransition metals [J]. Physical Review B,1983,27:2005. DOI:10.1103/PhysRevB.27.2005.
[24] YE M, KIMURA A, MIURA Y, et al. Role of electronic structure in the martensitic phase transition of Ni₂Mn_{_</sub>_1+xSn_{_</sub>_1-x studied by hard-X-ray photoelectron spectroscopy and Ab initio calculation[J]. Physical Review Letters,2010,104:176401.DOI:10.1103/PhysRevLett.104.176401.}}}}

First-principle study of magnetic shape memory effect of Mn₂RhZ(Z=In, Sn, Sb)Heusler alloy

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	WANG Shuyu,LU Chunguang, YUAN Qiuting,QIU Jiajun,FU Yueju,CAI Shuzhen,FU Guangsheng. Application of novel ferroelectric thin films in MFIS devices [J]. Journal of Hebei University(Natural Science Edition), 2023, 43(4): 364-368.
[2]	YUAN Qiuting, GUO Cong, WANG Shuyu, FU Yueju, DONG Guoyi. Magnetoelectric coupling effect of 0-3 type P(VDF-TrFE)_xFOM_1-x nanocomposites [J]. Journal of Hebei University(Natural Science Edition), 2023, 43(1): 29-34.
[3]	XUE Yinggang,MENG Hao,WANG Zhaowen,ZHAO Wenze,LIU Baoting,DAI Xiuhong. Physical properties of La_0.67Sr_0.33MnO₃/PbZr_0.4Ti_0.6O₃/La_0.67Sr_0.33 MnO₃ epitaxial ferroelectric capacitor [J]. Journal of Hebei University(Natural Science Edition), 2022, 42(4): 364-369.
[4]	LUO Hao, ZHANG Huiyu, LIU Hongyan, LIU Haixu, LU Wanbing. Atomic layer deposition process of SnO₂ and TiO₂ films on perovskite materials [J]. Journal of Hebei University(Natural Science Edition), 2022, 42(4): 370-375.
[5]	ZHANG Huiyu, ZHAO Jing, GUO Qiang,LIU Haixu, DING Wenge. Decay mechanism of the erbium-doped silicon-rich silicon oxide electroluminescence device [J]. Journal of Hebei University (Natural Science Edition), 2017, 37(4): 360-363.
[6]	GUO Shuang,FU Nian,WU Xiaolin, WANG Jianglong, WANG Shufang. Fabrication and thermoelectric properties of the SrTi_0.8Nb_0.2O₃ /Au nanocomposite thin films [J]. Journal of Hebei University (Natural Science Edition), 2017, 37(4): 355-359.
[7]	LIU Ran,GE Dayong,GAO Linjie,ZHA Xinyu,WANG Jianglong. High-temperature electric and thermal transport properties of CdO doped with Mn⁴⁺ [J]. Journal of Hebei University (Natural Science Edition), 2017, 37(2): 117-122.
[8]	DUAN Xiuzhi,WANG Guangxin,CHANG Chunrui. Ground-state energy of electron and hole in elliptical quantum wire in the presence of a magnetic field [J]. Journal of Hebei University (Natural Science Edition), 2015, 35(5): 463-467.
[9]	JIAO Xiaoyan,SHEN Shigang,XING Shuang,QIU Yu,ZHAO Yingping. Microwave-assisted synthesis and characterization of single dimension ZnO nanorods [J]. Journal of Hebei University (Natural Science Edition), 2015, 35(3): 265-271.
[10]	ZHAO Xiaohui,WANG Haifeng,BAI Zilong,WANG Shufang,FU Guangsheng. High temperature thermoelectric properties of Bi1.6Pb0.4Sr2Co2Oy/Ag composite bulks [J]. Journal of Hebei University (Natural Science Edition), 2014, 34(2): 143-147,153.
[11]	SUN Wenxiang,LI Zhiwen,LIU Lin,LIANG Weihua,WANG Yinglong. Effects of stresses on electrocaloric effects of the thermoelectric body [J]. Journal of Hebei University (Natural Science Edition), 2013, 33(4): 360-364.
[12]	WANG Yinglong,LIU Lin,LIANG Weihua,DING Xuecheng,CHU Lizhi. Effects of Ti contents to the tunneling electroresistance of PZT/STO ferroelectric capacitors [J]. Journal of Hebei University (Natural Science Edition), 2012, 32(6): 587-591.
[13]	WANG Ying-long,WANG Xing-yuan,DING Xue-cheng,LIANG Wei-hua,DENG Ze-chao,CHU Li-zhi,FU Guang-sheng. Amendment to the Multiferroic Landau Model of BiFeO_3 [J]. Journal of Hebei University (Natural Science Edition), 2009, 29(6): 577-581.
[14]	YAN Xiao-bing,LIU Bao-ting,BIAN Fang,YAN Zheng,ZHAO Qing-xun. Fabrication and Research Progress of Ferroelectric/Ferromagnetic Composites [J]. Journal of Hebei University (Natural Science Edition), 2007, 27(2): 213-218.
[15]	ZHANG Wei-tao,SUN Hong-li,YAN Zheng,ZHANG Zi-sheng,ZHAO Qing-xun,LIU Bao-ting. Preparation and Research Progress of Bismuth Titanate Series Ferroelectric Thin Films [J]. Journal of Hebei University (Natural Science Edition), 2006, 26(2): 219-224.