114 citations · 540 across the 23 of their papers we have counts for
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Can the structure of amorphous indium gallium zinc oxide be described in terms of a few polyhedral motifs?
Divya, R. Prasad, Deepak
The coordination polyhedra around the cations are the building blocks of ionic solids. In context of amorphous InGaZn oxide (a-IGZO), even though the coordination polyhedra are irr…
Optical Anisotropy in Bismuth Titanate: An Experimental and Theoretical Study
Amritendu Roy, Rajendra Prasad, Sushil Auluck +1
We report experimental and theoretical investigation of anisotropy in optical properties and their origin in the ferroelectric and paraelectric phases of bismuth titanate. Room tem…
Valence Fluctuation in CeMo2Si2C
U. B. Paramanik, Anupam, U. Burkhard +3
We report on the valence fluctuation of Ce in CeMoSiC as studied by means of magnetic susceptibility , specific heat , electrical resistivity and x-r…
Room Temperature Nanoscale Ferroelectricity in Magnetoelectric GaFeO3 Epitaxial Thin Films
Somdutta Mukherjee, Amritendu Roy, Sushil Auluck +3
We demonstrate room temperature ferroelectricity in the epitaxial thin films of magnetoelectric GaFeO3. Piezo-force measurements show a 180o phase shift of piezoresponse upon switc…
Engineering Polarization Rotation in Ferroelectric Bismuth Titanate
Amritendu Roy, Rajendra Prasad, Sushil Auluck +1
Here, we report a combined experimental-theoretical study showing that collective application of rare earth doping on A-site and epitaxial strain to ferroelectric bismuth titanate…
Effect of Site-disorder, Off-stoichiometry and Epitaxial Strain on the Optical Properties of Magnetoelectric Gallium Ferrite
Amritendu Roy, Somdutta Mukherjee, Surajit Sarkar +4
We present a combined experimental-theoretical study demonstrating the role of site disorder, off-stoichiometry and strain on the optical behavior of magnetoelectric gallium ferrit…
First Principle Study of Magnetism and Magneto-structural Coupling in Gallium Ferrite
Amritendu Roy, Rajendra Prasad, Sushil Auluck +1
We report a first-principles study of the magnetic properties, site disorder and magneto-structural coupling in multiferroic gallium ferrite (GFO) using local spin density approxim…
Electronic Structures, Born Effective Charges and Spontaneous Polarization in Magnetoelectric Gallium Ferrite
Amritendu Roy, Somdutta Mukherjee, Rajeev Gupta +3
We present a theoretical study of the structure-property correlation in gallium ferrite, based on the first principles calculations followed by a subsequent comparison with the exp…
Suppression of Jahn-Teller distortion by chromium and magnesium doping in spinel LiMn2O4: A first-principles study using GGA and GGA+U
Gurpreet Singh, S. L. Gupta, R. Prasad +3
The effect of doping spinel LiMn2O4 with chromium and magnesium has been studied using the first-principles spin density functional theory within GGA (generalized gradient approxim…
First-Principles Calculation of Born Effective Charges and Spontaneous Polarization of Ferroelectric Bismuth Titanate
Amritendu Roy, Rajendra Prasad, Sushil Auluck +1
In this study, we present the results of our first-principles calculations of the band structure, density of states and the Born effective charge tensors for the ferroelectric (gro…
Phase Stability in Ferroelectric Bismuth Titanate: A First Principles Study
Anurag Shrinagar, Ashish Garg, Rajendra Prasad
Experimental data on the structure of ferroelectric oxide Bismuth Titanate suggests two different kinds of structures i.e. orthorhombic and monoclinic. We have performed density fu…
Charge-induced effects on the structure and properties of silane and disilane derivatives
D. Balamurugan, R. Prasad
Using ab-initio electronic structure methods we have investigated the ground state structures and properties of neutral and charged SiH(m=1-4) and SiH(n=1-6) clus…
Effect of hydrogen on ground state structures of small silicon clusters
D. Balamurugan, R. Prasad
We present results for ground state structures of small SiH (2 \leq \emph{n} \leq 10) clusters using the Car-Parrinello molecular dynamics. In particular, we focus on how the…