37 citations · 76 across the 9 of their papers we have counts for
9 papers
Photoinduced orbital polarization and Jahn-Teller effect in RNiO
Sangeeta Rajpurohit, Sheikh Rubaiat Ul Haque, Aaron M. Lindenberg +2
The orbital degree of freedom in rare-earth nickelates is typically inactive across the temperature-driven metal-insulator transition, where the system develops two inequivalent Ni…
Optical control of spin-splitting in an altermagnet
Sangeeta Rajpurohit, Revsen Karaalp, Yuan Ping +3
Manipulating and controlling the band structure and the spin-splitting in the newly discovered class of magnetic materials known as 'altermagnets' is highly desirable for their app…
Characteristic THz-emissions induced by optically excited collective orbital modes
Sangeeta Rajpurohit, Christian Jooss, Simone Techert +3
We study the generation of collective orbital modes, their evolution, and the characteristic nonlinear optical response induced by them in a photoinduced orbital-ordered correlated…
Real-time non-adiabatic dynamics in the one-dimensional Holstein model: Trajectory-based vs exact methods
Michael ten Brink, Stefan Gräber, Miroslav Hopjan +4
We benchmark a set of quantum-chemistry methods, including multitrajectory Ehrenfest, fewest-switches surface-hopping, and multiconfigurational-Ehrenfest dynamics, against exact qu…
A criticial view on e occupancy as a descriptor for oxygen evolution catalytic activity in LiMnO nanoparticles
Florian Schönewald, Marco Eckhoff, Max Baumung +4
We investigate the effect of the surface electronic structure and composition of LiMnO nanoparticles on the electrocatalytic oxygen evolution reaction (OER). Scanning trans…
Surface resonance of the (21) reconstructed lanthanum hexaboride (001)-cleavage plane: a combined STM and DFT study
P. Buchsteiner, F. Sohn, J. G. Horstmann +6
We performed a combined study of the (001)-cleavage plane of lanthanum hexaboride (LaB) using scanning tunneling microscopy (STM) and density functional theory (DFT). Ex…