Band structure - Correlation methods - Fermi level - Hamiltonians - Monte Carlo methods;
D O I:
10.1140/epjb/e2008-00108-y
中图分类号:
O469 [凝聚态物理学];
学科分类号:
070205 ;
摘要:
There exists presently considerable debate over the question whether local Coulomb interactions can explain the absence of the small e'(g) Fermi surface hole pockets in photoemission studies of Na0.3CoO2. By comparing dynamical mean field results for different single particle Hamiltonians and exact diagonalization as well as quantum Monte Carlo treatments, we show that, for realistic values of the Coulomb energy U and Hund exchange J, the e'(g) pockets can be slightly enhanced or reduced compared to band structure predictions, but they do not disappear.