803 citations · 7.2k across the 130 of their papers we have counts for
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Phonon spectrum, thermal expansion and heat capacity of UO from first-principles
Younsuk Yun, Dominik Legut, Peter M. Oppeneer
We report first-principles calculations of the phonon dispersion spectrum, thermal expansion, and heat capacity of uranium dioxide. The so-called direct method, based on the quasih…
Spin and orbital hybridization at specifically nested Fermi surfaces in URuSi
Peter M. Oppeneer, Saad Elgazzar, Jan Rusz +3
The Fermi surface (FS) nesting properties of URuSi are analyzed with particular focus on their implication for the mysterious hidden order phase. We show that there exist t…
Ab initio investigation of Elliott-Yafet electron-phonon mechanism in laser-induced ultrafast demagnetization
K. Carva, M. Battiato, P. M. Oppeneer
The spin-flip (SF) Eliashberg function is calculated from first-principles for ferromagnetic Ni to accurately establish the contribution of Elliott-Yafet electron-phonon SF scatter…
Investigation of on-site inter-orbital single electron hoppings in general multi-orbital systems
Qingguo Feng, Peter M. Oppeneer
A general multi-orbital Hubbard model, which includes on-site inter-orbital electron hoppings, is introduced and studied. It is shown that the on-site inter-orbital single electron…
Advanced multi-orbital impurity solver for dynamical mean field theory based on the equation of motion approach
Qingguo Feng, P. M. Oppeneer
We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory (DMFT) based on equations of motion (EOM) of Green's functions and decoupling scheme.…
Fast multi-orbital equation of motion impurity solver for dynamical mean field theory
Qingguo Feng, P. M. Oppeneer
We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions an…