Electronic structure, superconductivity and magnetism study of Cr3GaN and Cr3RhN
Electronic structure, superconductivity and magnetism study of Cr3GaN and Cr3RhN
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DOI：
10.1016/j.jallcom.2006.08.365
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发表时间：
2007-09
影响因子：
6.2
通讯作者：
B. Wiendlocha;J. Toboła;S. Kaprzyk;D. Fruchart
中科院分区：
文献类型：
--
作者：
B. Wiendlocha;J. Toboła;S. Kaprzyk;D. Fruchart
使用 Korringa-Kohn-Rostoker 方法对金属间钙钛矿化合物 Cr3GaN 和 Cr3RhN 进行了理论上的研究，作为类 MgCNi3 超导体的可能候选材料，并且接近磁临界点。麦克米伦-霍普菲尔德参数的大值表明根据电子-声子耦合常数 λ>1 估计超导开始的可能性。此外，尽管 Cr 原子上的 n(EF) 值接近斯托纳极限，但自旋极化电子结构计算得出两种化合物的非铁磁基态。
The intermetallic perovskite compounds Cr3GaN and Cr3RhN were theoretically investigated, using the Korringa–Kohn–Rostoker method, as possible candidates for MgCNi3-like superconductors and being near the magnetic critical point. The large values of McMillan–Hopfield parameters indicate the possibility of superconductivity onset as estimated from electron–phonon coupling constant λ>1. Moreover, spin-polarised electronic structure calculations resulted in the non-ferromagnetic ground state in both compounds, in spite of the n(EF) values on Cr atoms close to the Stoner limit.