136 citations · 399 across the 7 of their papers we have counts for
7 papers · 1 filter
Interfacial charge transfer and interaction in the MXene/TiO2 heterostructures
Lihua Xu, Tao Wu, Paul R. C. Kent +1
Hybrid materials of MXenes (2D carbides and nitrides) and transition-metal oxides (TMOs) have shown great promise in electrical energy storage and 2D heterostructures have been pro…
Doping a Bad Metal: Origin of Suppression of Metal-Insulator Transition in Non-Stoichiometric VO
P. Ganesh, Frank Lechermann, Ilkka Kylanpaa +3
Rutile () phase VO is a quintessential example of a strongly correlated bad-metal, which undergoes a metal-insulator transition (MIT) concomitant with a structural transitio…
Anomalous dielectric response at intermixed oxide heterointerfaces
Valentino R. Cooper, Houlong L. Zhuang, Lipeng Zhang +3
Two-dimensional charge carrier accumulation at oxide heterointerfaces presents a paradigm shift for oxide electronics. Like a capacitor, interfacial charge buildup couples to an el…
Oxygen vacancy formation energies in PbTiO/SrTiO superlattice
Lipeng Zhang, Isaac Bredeson, Axiel Yaël Birenbaum +4
The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO and PbTiO (STO/PTO) is determined using first principles density functional theory…
An efficient hybrid orbital representation for quantum Monte Carlo calculations
Ye Luo, Kenneth P. Esler, Paul R. C. Kent +1
The scale and complexity of quantum system to which real-space quantum Monte Carlo (QMC) can be applied in part depends on the representation and memory usage of the trial wavefunc…
Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the TiO Magnéli phase
Anouar Benali, Luke Shulenburger, Jaron T. Krogel +3
The Magnéli phase TiO is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom…