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6 papers · 2 filters
Compositional phase stability of strongly correlated electron materials within DFT+
Eric B. Isaacs, Chris A. Marianetti
Predicting the compositional phase stability of strongly correlated electron materials is an outstanding challenge in condensed matter physics. In this work, we employ the DFT+U fo…
Electron interactions, spin-orbit coupling, intersite correlations in pyrochlore iridates
Runzhi Wang, Ara Go, Andrew J. Millis
We perform combined density functional and dynamical mean-field calculations to study the pyrochlore iridates LuIrO, YIrO and EuIrO. Both single…
Small quenches and thermalization
D. M. Kennes, J. C. Pommerening, J. Diekmann +2
We study the expectation values of observables and correlation functions at long times after a global quantum quench. Our focus is on metallic (`gapless') fermionic many-body model…
Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function
Matthew Z. Mayers, Mark S. Hybertsen, David R. Reichman
A new cumulant-based approximation for the retarded one-particle Green's function is proposed, motivated by an exact relation between the improper Dyson self-energy and the cu…
Local atomic and magnetic structure of dilute magnetic semiconductor (Ba,K)(Zn,Mn)As
Benjamin A. Frandsen, Zizhou Gong, Maxwell Terban +6
We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn)As through atomic and magnetic pair distribution function an…
Physics of ultrathin films and heterostructures of rare earth nickelates
S. Middey, J. Chakhalian, P. Mahadevan +3
The electronic structure of transition metal oxides featuring correlated electrons can be rationalized within the Zaanen-Sawatzky-Allen framework. Following a brief description of…