First-principles investigation of phonon softenings and lattice instabilities in the shape-memory system Ni2MnGa -: art. no. 132402

被引：107

作者：

Zayak, AT ^{[1
]}

Entel, P

Enkovaara, J

Ayuela, A

Nieminen, RM

机构：

[1] Gerhard Mercator Univ, Inst Phys, D-47048 Duisburg, Germany

[2] Helsinki Univ Technol, Phys Lab, Espoo 02015, Finland

来源：

PHYSICAL REVIEW B | 2003年 / 68卷 / 13期

关键词：

D O I：

10.1103/PhysRevB.68.132402

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ferromagnetic Ni2MnGa has unique magnetoelastic properties. These are investigated by detailed computational studies of the phonon-dispersion curves for the non-modulated cubic L2(1) and tetragonal structures. For the L2(1) structure, a complete softening of the transverse-acoustic mode has been found around the wave vector q=[1/3,1/3,0](2pi/a). The softening of this TA(2) phonon mode leads to the premartensitic modulated superstructure observed experimentally. Further phonon anomalies, related to other structural transformations in Ni2MnGa, have also been found and examined. These anomalies appear to be due to the coupling of particular acoustic-phonon modes and optical modes derived from Ni.

引用

页数：4

共 37 条

[21] Electronic and optical properties of α, γ, and β phases of MgH2:: A first-principles GW investigation -: art. no. 096106 [J].

Araújo, CM ;

Lebègue, S ;

Eriksson, O ;

Arnaud, B ;

Alouani, M ;

Ahuja, R .

JOURNAL OF APPLIED PHYSICS, 2005, 98 (09)

[22] Site preference and elastic properties of Fe-, Co-, and Cu- doped Ni2MnGa shape memory alloys from first principles [J].

Li, Chun-Mei ;

Luo, Hu-Bin ;

Hu, Qing-Miao ;

Yang, Rui ;

Johansson, Borje ;

Vitos, Levente .

PHYSICAL REVIEW B, 2011, 84 (02)

[23] First-principles study of the lattice instabilities in Mn2NiX (X = Al, Ga, In, Sn) magnetic shape memory alloys [J].

Paul, Souvik ;

Sanyal, Biplab ;

Ghosh, Subhradip .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2015, 27 (03)

[24] Pressure dependence of the Curie temperature in Ni2MnSn Heusler alloy:: A first-principles study -: art. no. 214412 [J].

Sasioglu, E ;

Sandratskii, LM ;

Bruno, P .

PHYSICAL REVIEW B, 2005, 71 (21)

[25] Phonon spectrum of ZnAl2O4 spinel from inelastic neutron scattering and first-principles calculations -: art. no. 144301 [J].

Fang, CM ;

Loong, CK ;

de Wijs, GA ;

de With, G .

PHYSICAL REVIEW B, 2002, 66 (14)

[26] Lattice dynamics and dielectric properties of TiO2 anatase:: A first-principles study (vol B 66, art no 155213, 2002) -: art. no. 119902 [J].

Mikami, M ;

Nakamura, S ;

Kitao, O ;

Arakawa, H .

PHYSICAL REVIEW B, 2004, 69 (11)

[27] Giant anharmonicity and nonlinear electron-phonon coupling in MgB2:: A combined first-principles calculation and neutron scattering study -: art. no. 037001 [J].

Yildirim, T ;

Gülseren, O ;

Lynn, JW ;

Brown, CM ;

Udovic, TJ ;

Huang, Q ;

Rogado, N ;

Regan, KA ;

Hayward, MA ;

Slusky, JS ;

He, T ;

Haas, MK ;

Khalifah, P ;

Inumaru, K ;

Cava, RJ .

PHYSICAL REVIEW LETTERS, 2001, 87 (03) :37001-1

[28] First-principles multielectron calculations of Ni L2,3 NEXAFS and ELNES for LiNiO2 and related compounds -: art. no. 075123 [J].

Ikeno, H ;

Tanaka, I ;

Koyama, Y ;

Mizoguchi, T ;

Ogasawara, K .

PHYSICAL REVIEW B, 2005, 72 (07)

[29] Raman active phonon modes and heat capacities of Ti2AlC and Cr2AlC ceramics:: first-principles and experimental investigations -: art. no. 101902 [J].

Wang, JY ;

Zhou, YC ;

Lin, ZJ ;

Meng, FL ;

Li, F .

APPLIED PHYSICS LETTERS, 2005, 86 (10) :1-3

[30] First-principles investigation on chemical bonding and bulk modulus of the ternary carbide Zr2Al3C5 -: art. no. 052102 [J].

Wang, JY ;

Zhou, YC ;

Lin, ZJ ;

Liao, T .

PHYSICAL REVIEW B, 2005, 72 (05)

← 1 2 3 4 →