论文标题
CEIR3超导体的电子结构：DMFT研究
Electronic structure of CeIr3 superconductor: DMFT studies
论文作者
论文摘要
我们介绍在动态平均场理论（DMFT）中计算出的CEIR $ _3 $超导体的频带结构。标准GGA和GGA+U方法无法再现实验性电子特异性热系数$γ_{\ rm expt。} $，这是因为在费米级$ n（e_f）$处的状态密度低于$ n（e_f）$，然后是被过度估计的（EPC）的强度（epc）的强度为$ untormormants alnormormal calmatimate $°γ; DMFT的研究表明，$ 4F $ CE的强烈杂交和IR的$ 5D $状态，这导致较大的$ N（E_F）$，提供正确的$γ_{\ rm expt。} $，与中等的EPC同意了与实验数据一致。
We present the band structure of CeIr$_3$ superconductor calculated within the dynamical mean field theory (DMFT). Standard GGA and GGA+U methods fail to reproduce the experimental electronic specific heat coefficient $γ_{\rm expt.}$ due to the underestimated density of states at the Fermi level $N(E_F)$ followed by an overestimated strength of electron-phonon coupling (EPC) calculated as a renormalization of $γ_{\rm expt.}$. The DMFT study shows a strong hybridization of $4f$ states of Ce with $5d$-states of Ir, which leads to the larger $N(E_F)$ giving the correct $γ_{\rm expt.}$ with a moderate EPC in agreement with the experimental data.
