14 citations · 17 across the 13 of their papers we have counts for
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Symmetry-selective nonrelativistic spin splitting in antiferromagnets driven by coherent phonons
Sangeeta Rajpurohit, Mohsen Yarmohammadi, Sheikh Rubaiat Ul Haque +3
Nonrelativistic spin splitting (NRSS) in antiferromagnets (AFMs) enables magnetization-free spin polarization for ultrafast spintronics. Here, we demonstrate that coherent phonons…
The CP-PAW code package for first-principles calculations from a user's perspective
Peter E. Blöchl, Robert Schade, Lukas Allen-Rump +5
CP-PAW is a combined electronic structure and ab-initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as sol…
Photo-induced phase-transitions in complex solids
Sangeeta Rajpurohit, Jacopo Simoni, Liang Z. Tan
Photo-induced phase-transitions (PIPTs) driven by highly cooperative interactions are of fundamental interest as they offer a way to tune and control material properties on ultrafa…
Ballistic photocurrent driven by optical phonon modes in a polaronic ferroelectric
Sangeeta Rajpurohit, Tadashi Ogitsu, Liang Z. Tan
We investigate the effect of local electron-phonon coupling on nonlinear optical conductivity in an interacting ferroelectric system. Using real-time simulations, we show an enhanc…
INQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theory
Xavier Andrade, Chaitanya Das Pemmaraju, Alexey Kartsev +6
We present INQ, a new implementation of density functional theory (DFT) and time-dependent DFT (TDDFT) written from scratch to work on graphical processing units (GPUs). Besides GP…
Ultrafast optical melting of trimer superstructure in layered 1T'-TaTe2
Khalid M. Siddiqui, Daniel B. Durham, Frederick Cropp +12
Quasi-two-dimensional transition-metal dichalcogenides are a key platform for exploring emergent nanoscale phenomena arising from complex interactions. Access to the underlying deg…