Ming Wenmei, Liu Yi, Zhang Wei, Zhao Jianzhi, Yao Yugui
Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
J Phys Condens Matter. 2009 Feb 18;21(7):075501. doi: 10.1088/0953-8984/21/7/075501. Epub 2009 Jan 23.
Using first-principles calculation, we investigate systematically the properties of ZrNi(2)Ga with fcc L 2(1) Heusler structure, including the electronic structure, phonon dispersion, electron-phonon interaction and thermodynamics. The calculated electron-phonon coupling constant λ and the logarithmically averaged frequency [Formula: see text] are 0.747 and 68.48 cm(-1), respectively, giving the superconducting transition temperature T(c) = 3.15 K according to the Allen-Dynes formula. It is in good agreement with the corresponding experimental T(c) and ZrNi(2)Ga therefore can be explained as a conventional phonon-mediated superconductor.
采用第一性原理计算方法，我们系统地研究了具有面心立方(L2_1)休斯勒结构的(ZrNi_2Ga)的性质，包括电子结构、声子色散、电子 - 声子相互作用和热力学。计算得到的电子 - 声子耦合常数(\lambda)和对数平均频率(\bar{\omega})分别为(0.747)和(68.48 cm^{-1})，根据艾伦 - 戴恩斯公式给出超导转变温度(T_c = 3.15 K)。这与相应的实验(T_c)值吻合良好，因此(ZrNi_2Ga)可被解释为一种传统的声子介导超导体。
