Satyaprakash Sahoo

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We present new results of ab initio total-energy calculations of small iron clusters, Fen with 2 6 n 6 15, in which structural JahnTeller like distortion and competing non-collinear and collinear magnetic moments have been taken care of simultaneously. We used the density-functional method that employs pseudopotentials and the projector augmented wave(More)
MoS2 is an important member of the transition metal dichalcogenides that is emerging as a potential 2D atomically thin layered material for low power electronic and optoelectronic applications. However, for MoS2 a critical fundamental question of significant importance is how the surface energy and hence the wettability is altered at the nanoscale in(More)
The size stability of nanoparticles is crucial from an application point of view. We probe, using Raman spectroscopy, particle size evolution of CdS nanoparticles by varying laser power. Multiphonon resonant Raman scattering has also been demonstrated. With increase in laser power, the intensity ratio of 2-longitudinal optical (LO) to 1-LO is found to(More)
We present ab initio density functional theory calculations of the magnetic structure of perfectly cuboctahedral nanoparticles consisting of 147 iron atoms. The results are compared to geometrically relaxed cuboctahedral and icosahedral Fe147-clusters. It is found, that structural relaxation leads to a compression, which reduces especially the moments of(More)
The two-dimensional (2D) semiconductor molybdenum disulfide (MoS2) has attracted widespread attention for its extraordinary electrical-, optical-, spin-, and valley-related properties. Here, we report on spin-polarized tunneling through chemical vapor deposited multilayer MoS2 (∼7 nm) at room temperature in a vertically fabricated spin-valve device. A(More)
Recently, arsenene a monolayer structure of the arsenic with two phases has semiconducting behavior. We have symmetrically investigated the electronic and optical properties of single-layer of arsenene with two types of functionalized organic molecules an electrophilic molecule [tetracyanoquinodimethane (TCNQ)] and a nucleophilic molecule(More)
Thermal properties of single wall carbon nanotube sheets (SWCNT-sheets) are of significant importance in the area of thermal management, as an isolated SWCNT possesses high thermal conductivity of the value about 3000 W m(-1) K(-1). Here we report an indirect method of estimating the thermal conductivity of a nanometer thick suspended SWCNT-sheet by(More)
and single layer MoS2 films Anand P. S. Gaur, Satyaprakash Sahoo, Frank Mendoza, Adriana M. Rivera, Mohit Kumar, Saroj P. Dash, Gerardo Morell, and Ram S. Katiyar Department of Physics and Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Rico 00931, USA Institute of Physics, Bhubaneswar 751005, Odisha, India Department of(More)
We calculate low-frequency Raman scattering from the confined acoustic phonon modes of CdS(1-x)Se(x) nanoparticles embedded in borosilicate glass. The calculation of the Raman scattering by acoustic phonons in nanoparticles has been performed by using third-order perturbation theory. The deformation potential approximation is used to describe the(More)
Confined acoustic and optical phonons in Si nanoclusters embedded in sapphire, synthesized using ion-beam implantation are investigated using Raman spectroscopy. The l=0 and l=2 confined acoustic phonons, found at low Raman shift, are analyzed using complex frequency model and the size of the nanoparticles are estimated as 4 and 6 nm. For the confined(More)
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