Mg(1-x)TxB2化合物中非常规超导现象的理论研究

D. Jayalakshmi
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引用次数: 2

摘要

用第一性原理计算研究了空间群为191的六边形超导材料mgb2的结构、键合、磁性、电子、弹性和热电性质。优化后的MgB 2晶格参数为a=b=3.084289 Ǻ和c= 3.51527 Ǻ,并计算了电子声子耦合常数(λ)、Debye温度、临界温度、Seebeck系数、电阻率和弹性常数(c11、c12、c13、c33、c55),与已有结果吻合较好。为了预测其他可能属于mgb2族的超导材料,进一步在Mg中掺杂过渡元素钛(Ti)并进行了分析。版权所有©VBRI出版社。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Theoretical Investigation on Occurrence of Unconventional Superconductivity in Mg(1-x)TxB2 Compounds
The structural, bonding, magnetic, electronic, elastic and thermoelectric nature of superconducting material namely MgB 2 , with hexagonal structure (space group is 191) are studied by first principle calculation. The optimized lattice parameters of MgB 2 are a=b=3.084289 Ǻ and c= 3.51527 Ǻ and the electron phonon coupling constant (λ), Debye temperature, critical temperature, Seebeck coefficient, electrical resistivity and the elastic constants (C 11 , C 12, C 13, C 33 , C 55 ) are calculated and agreed well with available outcome. To predict other possible superconducting materials belong to MgB 2 family, Mg is further doped with transition element Titanium (Ti) and analyzed. Copyright © VBRI Press.
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