781 citations · 1.9k across the 17 of their papers we have counts for
17 papers
transition in cerium: magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
B. Chakrabarti, M. E. Pezzoli, G. Sordi +2
The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid state concepts. Using the combinati…
Site-Selective Electronic Correlation in alpha-Plutonium Metal
Jian-Xin Zhu, R. C. Albers, K. Haule +2
An understanding of the phase diagram of elemental plutonium (Pu) must include both the effects of the strong directional bonding and the high density of states of the Pu 5f electr…
Synthesis and properties of charge-ordered thallium halide perovskites, CsTl1+0.5Tl3+0.5X3 (X = F, Cl)- theoretical precursors for superconductivity?
M. Retuerto, T. Emge, J. Hadermann +14
Recently CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they are optimally doped. The synthesis of these two compounds, together wit…
Many-body effects in iron pnictides and chalcogenides -- non-local vs dynamic origin of effective masses
Jan M. Tomczak, M. van Schilfgaarde, G. Kotliar
We apply the quasi-particle self-consistent GW (QSGW) approximation to some of the iron pnictide and chalcogenide superconductors. We compute Fermi surfaces and density of states,…
Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations
Z. P. Yin, K. Haule, G. Kotliar
We perform realistic first-principles calculations of iron chalcogenides and ruthenate based materials to identify experimental signatures of Hund's coupling induced correlations i…
Electronic structure of Pu and Am metals by self consistent relativistic GW
A. Kutepov, K. Haule, S. Y. Savrasov +1
We present the results of calculations for Pu and Am performed using an implementation of self-consistent relativistic GW method. The key feature of our scheme is to evaluate polar…