1.7k citations · 2.6k across the 11 of their papers we have counts for
11 papers
Antiferroelectric topological insulators in orthorhombic MgBi compounds ( Li, Na, K)
Bartomeu Monserrat, Joseph W. Bennett, Karin M. Rabe +1
We introduce antiferroelectric topological insulators as a new class of functional materials in which an electric field can be used to control topological order and induce topologi…
The Structural Diversity of ABS3 Compounds with d0 Electronic Configuration for the B-cation
John A. Brehm, Joseph W. Bennett, Michael Rutenberg Schoenberg +2
We use first-principles density functional theory (DFT) within the local density approx- imation (LDA) to ascertain the ground state structure of real and theoretical compounds wit…
Density Functional Theory Study Of Hypothetical PbTiO3-Based Oxysulfides
John A. Brehm, Hiroyuki Takenaka, Chan-Woo Lee +4
Using density functional theory (DFT) within the local density approximation (LDA), we calculate the physical and electronic properties of PbTiO3 (PTO) and a series of hypothetical…
Pseudopotentials for high-throughput DFT calculations
Kevin F. Garrity, Joseph W. Bennett, Karin M. Rabe +1
The increasing use of high-throughput density-functional theory (DFT) calculations in the computational design and optimization of materials requires the availability of a comprehe…
Orthorhombic semiconductors as antiferroelectrics
Joseph W. Bennett, Kevin F. Garrity, Karin M. Rabe +1
We use a first-principles rational-design approach to identify a previously-unrecognized class of antiferroelectric materials in the MgSrSi structure type. The MgSrSi struct…
Hexagonal as semiconducting ferroelectrics
Joseph W. Bennett, Kevin F. Garrity, Karin M. Rabe +1
We use a first-principles rational-design approach to identify a previously-unrecognized class of ferroelectric materials in the LiGaGe structure type. We calculate structu…