1205.6965 (Li Huang et al.)

Dynamical screening in strongly correlated metal SrVO3    [PDF]

Li Huang, Yilin Wang

The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the state-of-the-art ab initio electronic structure computing framework of local density approximation plus dynamical mean-field theory, and then choose SrVO3 as a prototype material to demonstrate the importance of dynamical screening effect. It is shown to renormalise the spectral weight near the Fermi level, to increase the effective mass, and to suppress the t2g quasiparticle band width apparently. The calculated results are in accordance with very recent angle-resolved photoemission spectroscopy experiments and Bose factor ansatz calculations.

View original: http://arxiv.org/abs/1205.6965