Role of Electronic Structure in the Martensitic Phase Transition of Ni2Mn1-xSn1-x Studied by Hard-X-Ray Photoelectron Spectroscopy and Ab Initio Calculation

被引：207

作者：

Ye, M. ^{[1
]}

Kimura, A. ^{[1
]}

Miura, Y. ^{[2
]}

Shirai, M. ^{[2
]}

Cui, Y. T. ^{[3
]}

Shimada, K. ^{[3
]}

Namatame, H. ^{[3
]}

Taniguchi, M. ^{[1
,3
]}

Ueda, S. ^{[4
]}

Kobayashi, K. ^{[4
]}

Kainuma, R. ^{[5
]}

Shishido, T. ^{[6
]}

Fukushima, K. ^{[7
]}

Kanomata, T. ^{[7
]}

机构：

[1] Hiroshima Univ, Grad Sch Sci, Higashihiroshima 7398526, Japan

[2] Tohoku Univ, Elect Commun Res Inst, Sendai, Miyagi 9808577, Japan

[3] Hiroshima Univ, Hiroshima Synchrotron Radiat Ctr, Higashihiroshima 7390046, Japan

[4] Natl Inst Mat Sci, NIMS Beamline Stn SPring 8, Sayo, Hyogo 6795148, Japan

[5] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan

[6] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

[7] Tohoku Gakuin Univ, Fac Engn, Tagajo, Miyagi 9858537, Japan

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 104卷 / 17期

关键词：

TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; HEUSLER ALLOYS; BASIS-SET; TRANSFORMATION; NI2MNGA; METALS;

D O I：

10.1103/PhysRevLett.104.176401

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have revealed the underlying mechanism of the martensitic phase transition (MPT) in a new class of ferromagnetic shape memory alloys, Ni2Mn1-xSn1-x, by the combination of bulk-sensitive hard-x-ray photoelectron spectroscopy and a first-principles density-functional calculation. The Ni 3d e(g) state in the cubic phase systematically shifts towards the Fermi energy with an increase in the number of Mn atoms substituted in the Sn sites. An abrupt decrease of the intensity of the Ni 3d e(g) states upon MPT for x = 0.36-0.42 has been observed in the vicinity of the Fermi level. The energy shift of the Ni 3d minority-spin e(g) state in the cubic phase originates from hybridization with the antiferromagnetically coupled Mn in the Sn site. Below the MPT temperature, the Ni 3d state splits into two levels located below and above the Fermi energy in order to achieve an energetically stable state.

引用

页数：4

共 32 条

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