Zobrazeno 1 - 10
of 38
pro vyhledávání: '"Rajpurohit, Sangeeta"'
First principles real-time time dependent density functional theory (rt-TDDFT) calculations reveal the existence of ballistic photocurrents generated by Coulomb scattering, a form of photocurrent that has not previously been considered as a mechanism
Externí odkaz:
http://arxiv.org/abs/2408.06320
Autor:
Rajpurohit, Sangeeta, Jooss, Christian, Techert, Simone, Ogitsu, Tadashi, Blöchl, P. E., Tan, L. Z.
We study the generation of collective orbital modes, their evolution, and the characteristic non-linear optical response induced by them in a photoinduced orbital-ordered correlated oxide using real-time simulations based on an interacting multiband
Externí odkaz:
http://arxiv.org/abs/2306.09107
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 ultrafast timescales. Due to strong correlations and interactions, complex qu
Externí odkaz:
http://arxiv.org/abs/2211.00742
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 enhancement in nonlinear conductivity under linearly-polarized light due to
Externí odkaz:
http://arxiv.org/abs/2208.09545
INQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theory
Autor:
Andrade, Xavier, Pemmaraju, Chaitanya Das, Kartsev, Alexey, Xiao, Jun, Lindenberg, Aaron, Rajpurohit, Sangeeta, Tan, Liang Z., Ogitsu, Tadashi, Correa, Alfredo A.
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 GPU support, INQ makes use of modern code design features and takes adva
Externí odkaz:
http://arxiv.org/abs/2106.03872
Solid systems with strong correlations and interactions under light illumination have the potential for exhibiting interesting bulk photovoltaic behavior in the non-perturbative regime, which has remained largely unexplored in the past theoretical st
Externí odkaz:
http://arxiv.org/abs/2105.11310
Autor:
Siddiqui, Khalid M., Durham, Daniel B., Cropp, Frederick, Ophus, Colin, Rajpurohit, Sangeeta, Zhu, Yanglin, Carlström, Johan D., Stavrakas, Camille, Mao, Zhiqiang, Raja, Archana, Musumeci, Pietro, Tan, Liang Z., Minor, Andrew M., Filippetto, Daniele, Kaindl, Robert A.
Publikováno v:
Communications Physics, Volume 4, Article number 152 (2021)
Quasi-two-dimensional transition-metal dichalcogenides are a key platform for exploring emergent nanoscale phenomena arising from complex interactions. Access to the underlying degrees-of-freedom on their natural time scales motivates the use of adva
Externí odkaz:
http://arxiv.org/abs/2009.02891
Publikováno v:
Phys. Rev. B 102, 174430 (2020)
Optically-induced phase transitions of the manganite $\rm Pr_{1/3}Ca_{2/3}MnO_3$ have been simulated using a model Hamiltonian, that captures the dynamics of strongly correlated charge, orbital, lattice, and spin degrees of freedom. Its parameters ha
Externí odkaz:
http://arxiv.org/abs/2007.14662
Publikováno v:
Phys. Rev. B 102, 014302 (2020)
The dynamics of electrons, spins and phonons induced by optical femtosecond pulses has been simulated for the polaronic crystal $\rm{Pr_{1/2}Ca_{1/2}MnO_3}$. The model used for the simulation has been derived from first-principles calculations. The s
Externí odkaz:
http://arxiv.org/abs/1909.03412