117 citations · 766 across the 37 of their papers we have counts for
5 papers · 1 filter
Fermi Level Instability as a Way to Tailor Properties of La3Te4
Muhammad Rizwan Khan, Harshan Reddy Gopidi, Mateusz Wlazło +1
Traditionally, the formation of off-stoichiometric compounds is believed to be the growth effect rather than the intrinsic tendency of the system. However, here, using the example…
Perspective on first-principles studies of 2D materials
Asha Yadav, Carlos Mera Acosta, Gustavo M. Dalpian +1
The successful exfoliation of graphene from graphite has brought significant attention to predicting new two-dimensional (2D) materials that can be realized experimentally. As a co…
Insulating band gaps both below and above the Néel temperature in d-electron LaTiO3, LaVO3, SrMnO3, and LaMnO3 perovskites as a symmetry-breaking event
Oleksandr I. Malyi, Xin-Gang Zhao, Alex Zunger
Compounds having an odd number of electrons with the same orbital character in occupied and unoccupied band edge states would be expected to have band degeneracy at the Fermi energ…
Effect of excess charge carriers and fluid medium on the magnitude and the sign of the Casimir-Lifshitz torque
P. Thiyam, Prachi Parashar, K. V. Shajesh +6
Last year, we reported a perturbative theory of the Casimir-Lifshitz torque between planar biaxially anisotropic materials in the retarded limit [Phys. Rev. Lett. {\bf 120}, 131601…
Density Functional description of spin, lattice, and spin-lattice dynamics in antiferromagnetic and paramagnetic phases at finite temperatures
Davide Gambino, Oleksandr I. Malyi, Zhi Wang +2
Describing the (a) electronic and magnetic properties (EMP) of antiferromagnetic or paramagnetic phases of compounds generally requires the knowledge of (b) the spin configurations…