1.4k citations · 12.9k across the 131 of their papers we have counts for
128 papers
High-Temperature ferromagnetism from site-selective filling in (Fe,Ni)GeTe
Tyler L. Werner, Jonathan T. Reichanadter, Xiang Chen +23
The discovery of high-temperature ferromagnetism in the metallic van der Waals (vdW) system FeGeTe has brought two-dimensional (2D) magnets into technologically relevant te…
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
Rohit Rana, Eric R. Heller, Antonios M. Alvertis +2
We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional per…
Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers
Sijia Ke, Yusuf Shaidu, Jeffrey B. Neaton
The degree of electronic coupling between individual layers in few-layer van der Waals heterostructures offers a route to engineer their magnetic, electronic, and optical functiona…
Discovery of a new weberite-type antiferroelectric: La3NbO7
Louis Alaerts, Jesse Schimpf, Xinyan Li +7
Antiferroelectrics are antipolar materials which possess an electric field-induced phase transition to a polar, ferroelectric phase and offer significant potential for sensing/actu…
High-throughput computation of electric polarization in solids via Berry flux diagonalization
Abigail N. Poteshman, Francesco Ricci, Jeffrey B. Neaton
Electric polarization in the absence of an externally applied electric field is a key property of polar materials, but the standard interpolation-based ab initio approach to comput…
Automated Workflow for Non-Empirical Wannier-Localized Optimal Tuning of Range-Separated Hybrid Functionals
Stephen E. Gant, Francesco Ricci, Guy Ohad +3
We introduce an automated workflow for generating non-empirical Wannier-localized optimally-tuned screened range-separated hybrid (WOT-SRSH) functionals. WOT-SRSH functionals have…