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arXiv 1708.01747cond-mat.supr-concond-mat.mtrl-scicond-mat.str-el
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砷化铬的低能带和输运性质

Low energy bands and transport properties of chromium arsenide

Carmine Autieri, Giuseppe Cuono, Filomena Forte, Canio Noce

摘要:

本文采用紧束缚近似和Lowdin下折叠方法计算了新发现的压致超导体CrAs的电子能带结构。通过整合出所有低砷自由度,我们推导出一个有效的哈密顿模型描述的Cr d带附近的费米能级。我们计算并预测了该化合物的能谱、费米面、态密度、输运和磁性。我们的结果是一致的局域密度近似计算,以及它们显示出良好的协议与现有的实验数据的电阻率和Cr磁矩。

英文摘要:

We apply a method that combines the tight-binding approximation and the Lowdin down-folding procedure to evaluate the electronic band structure of the newly discovered pressure-induced superconductor CrAs. By integrating out all low-lying arsenic degrees of freedom, we derive an effective Hamiltonian model describing the Cr d bands near the Fermi level. We calculate and make predictions for the energy spectra, the Fermi surface, the density of states and transport and magnetic properties of this compound. Our results are consistent with local-density approximation calculations as well as they show good agreement with available experimental data for resistivity and Cr magnetic moment.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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