Probing Structural and Magnetic Instabilities and Hysteresis in Heuslers by Density Functional Theory Calculations

被引：19

作者：

Entel, Peter ^{[1
,2
]}

Gruner, Markus E. ^{[1
,2
]}

Faehler, Sebastian ^{[3
]}

Acet, Mehmet ^{[1
,2
]}

Cahir, Asli ^{[4
]}

Arroyave, Raymundo ^{[5
]}

Sahoo, Sanjubala ^{[6
]}

Duong, Thien C. ^{[5
]}

Talapatra, Anjana ^{[5
]}

Sandratskii, Leonid ^{[7
]}

Mankowsky, Sergei ^{[8
]}

Gottschall, Tino ^{[9
]}

Gutfleisch, Oliver ^{[9
]}

Lazpita, Patricia ^{[10
,11
]}

Chernenko, Volodymyr A. ^{[10
,11
]}

Barandiaran, Jose M. ^{[10
,11
]}

Sokolovskiy, Vladimir V. ^{[12
]}

Buchelnikov, Vasiliy D. ^{[12
,13
]}

机构：

[1] Univ Duisburg Essen, Fac Phys, D-37048 Duisburg, Germany

[2] Univ Duisburg Essen, Ctr Nanointegrat, CENIDE, D-37048 Duisburg, Germany

[3] IFW Dresden, POB 270116, D-01171 Dresden, Germany

[4] Muglu Univ, Met & Malzeme Muhendisligi Bolumu, TR-4800 Mugla, Turkey

[5] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA

[6] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA

[7] Max Planck Inst Microstruct Phys, Weinberg 2, D-06120 Halle, Germany

[8] Univ Munich, Dept Chem, Butenandstr 5-13, D-81377 Munich, Germany

[9] Tech Univ Darmstadt, Inst Mat Sci, D-64287 Darmstadt, Germany

[10] Univ Basque, BCMat, Basque, Spain

[11] Univ Basque, Dept Elect & Elect, Basque, Spain

[12] Chelyabinsk State Univ, Dept Condensed Matter Phys, Chelyabinsk 454021, Russia

[13] Natl Univ Sci & Technol MIS&S, Moscow 119049, Russia

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2018年 / 255卷 / 02期

关键词：

density functional theory calculations; Heusler materials; magnetic cluster glasses and strain glasses; magnetocaloric effect; Monte Carlo simulations; segregation; MARTENSITIC-TRANSFORMATION; KINETIC ARREST; FIELD; PHASE; STABILITY; NI2MNGA; STRAIN; ORDER;

D O I：

10.1002/pssb.201700296

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Martensitic transformations of rapidly quenched and less rapidly cooled Heusler alloys of type Ni-Mn-X with X=Ga, In, and Sn are investigated by ab initio calculatioms. For the rapidly cooled alloys, we obtain the magnetocaloric properties near the magnetocaloric transition. For the less rapidly quenched alloys these magnetocaloric properties start to change considerably, each alloy transforms during temper-annealing into a dual-phase composite alloy. The two phases are identified to be cubic Ni-Mn-X and tetragonal NiMn.

引用

页数：14

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