583 citations · 1.1k across the 7 of their papers we have counts for
7 papers
A non-perturbative study of bulk photovoltaic effect enhanced by an optically induced phase transition
Sangeeta Rajpurohit, C. Das Pemmaraju, Tadashi Ogitsu +1
Solid systems with strong correlations and interactions under light illumination have the potential for exhibiting interesting bulk photovoltaic behavior in the non-perturbative re…
Ångström-resolved Interfacial Structure in Organic-Inorganic Junctions
Craig P. Schwartz, Sumana L. Raj, Sasawat Jamnuch +18
Charge transport processes at interfaces which are governed by complex interfacial electronic structure play a crucial role in catalytic reactions, energy storage, photovoltaics, a…
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
C. D. Pemmaraju, F. D. Vila, J. J. Kas +4
The interaction of laser fields with solid-state systems can be modeled efficiently within the velocity-gauge formalism of real-time time dependent density functional theory (RT-TD…
Efficient implementation of core-excitation Bethe Salpeter equation calculations
K. Gilmore, John Vinson, E. L. Shirley +5
We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including x-ray absorption (XAS), x-ray emission (XES), and both…
Electric Field Effects on Armchair MoS2 Nanoribbons
Kapildeb Dolui, Chaitanya Das Pemmaraju, Stefano Sanvito
{\it Ab initio} density functional theory calculations are performed to investigate the electronic structure of MoS armchair nanoribbons in the presence of an external static e…
Ab-initio study on the possible doping strategies for MoS monolayers
Kapildeb Dolui, Ivan Rungger, Chaitanya Das Pemmaraju +1
Density functional theory is used to systematically study the electronic and magnetic properties of doped MoS monolayers, where the dopants are incorporated both via S/Mo subst…
Magnetic interaction of Co ions near the {10\bar{1}0} ZnO surface
Thomas Archer, Chaitanya Das Pemmaraju, Stefano Sanvito
Co-doped ZnO is the prototypical dilute magnetic oxide showing many of the characteristics of ferromagnetism. The microscopic origin of the long range order however remains elusive…