High-resolution soft x-ray photoelectron study of density of states and thermoelectric properties of the Heusler-type alloys (Fe2 3V1 3)100-yAly
High-resolution soft x-ray photoelectron study of density of states and thermoelectric properties of the Heusler-type alloys (Fe2 3V1 3)100-yAly
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DOI：
10.1103/physrevb.71.245112
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发表时间：
2005-06
影响因子：
3.7
通讯作者：
K. Soda;H. Murayama;K. Shimba;S. Yagi;J. Yuhara;T. Takeuchi;U. Mizutani;H. Sumi;Masaaki Kato;H. Kato;Y. Nishino;A. Sekiyama;S. Suga;T. Matsushita;Y. Saitoh
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文献类型：
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作者：
K. Soda;H. Murayama;K. Shimba;S. Yagi;J. Yuhara;T. Takeuchi;U. Mizutani;H. Sumi;Masaaki Kato;H. Kato;Y. Nishino;A. Sekiyama;S. Suga;T. Matsushita;Y. Saitoh
对HeuslerL 21型Fe 2/3V 1/3100�yAly y = 23.8� 25.8合金的高分辨软X射线光电子研究直接证实了它们的热电性能与费米能级附近的电子结构之间的相关性。结果表明，Al含量与化学计量比的微小偏离，使3d主能带发生类刚性带移，费米边的光电子强度增加，y = 25.0。这意味着在Fe_2VAl中存在跨费米能级的赝能隙。从目前的光谱数据评估的塞贝克系数与实验的，以及估计的值从理论的态密度在刚性带模型，而移动是远远小于预期的刚性带模型。非化学计量比Fe_（2/3）V_（1/3100）γ Al_y合金电子结构的微小变化可能归因于Al对EF附近电子态的贡献较小。
The high-resolution soft x-ray photoelectron study of HeuslerL21-type Fe2/3V1/3100�yAly y = 23.8� 25.8 alloys directly confirms the correlation between their thermoelectric properties and the electronic structures near the Fermi level. It shows the rigid-band-like shift of the main 3d bands and the increase of the photoelectron intensity at the Fermi edge with the small deviation of the Al content from stoichiometry, i.e., y = 25.0. This implies the existence of the pseudogap across the Fermi level in Fe2VAl. The Seebeck coefficients evaluated from the present spectroscopic data agree well with the experimental ones as well as the values estimated from a theoretical density of states in a rigid-band model, while the shift is much smaller than what is expected in the rigid-band model. The small modification of the electronic structure in the offstoichiometric Fe2/3V1/3100�yAly alloys may be attributed to the lower contribution of Al to the electronic states near EF.