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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…
Pressure-resistant intermediate valence in Kondo insulator SmB6
Nicholas P. Butch, Johnpierre Paglione, Paul Chow +4
Resonant x-ray emission spectroscopy (RXES) was used to determine the pressure dependence of the f-electron occupancy in the Kondo insulator SmB6. Applied pressure reduces the f-oc…
Electronic correlations in monolayer VS
Eric B. Isaacs, Chris A. Marianetti
The layered transition metal dichalcogenide vanadium disulfide (VS), which nominally has one electron in the shell, is potent for strong correlation physics and is possibl…
Influence of quantum confinement and strain on orbital polarization of four-layer LaNiO superlattices: a DFT+DMFT study
Hyowon Park, Andrew J. Millis, Chris A. Marianetti
Atomically precise superlattices involving transition metal oxides provide a unique opportunity to engineer correlated electron physics using strain (modulated by choice of substat…
Applicability of DFT + U to U metal and U-Zr alloy
Wei Xie, Chris A. Marianetti, Dane Morgan
In the Letter [J. Nucl. Mater. 444, 356 (2014)] and Comment [Phys Rev B 90, 157101 (2014)], Soderlind et al. argue that 1) DFT based on GGA already models U metal and U-Zr alloy ac…