We study the Be-C doped MgB2 system by the first principles method based on density functional theory. The compensation effect between electron type doping and hole type doping is shown in the total density of states ...We study the Be-C doped MgB2 system by the first principles method based on density functional theory. The compensation effect between electron type doping and hole type doping is shown in the total density of states on the Fermi level, the real part of optical conductivity, and the number of effective carriers. The compensation mechanisms are discussed. The critical temperatures for different systems are calculated.展开更多
基金Project supported by the National Natural Science Foundation of China (No.10775088)the Key Program of Theoretical Physics of Shandong Province
文摘We study the Be-C doped MgB2 system by the first principles method based on density functional theory. The compensation effect between electron type doping and hole type doping is shown in the total density of states on the Fermi level, the real part of optical conductivity, and the number of effective carriers. The compensation mechanisms are discussed. The critical temperatures for different systems are calculated.
