119 citations · 143 across the 13 of their papers we have counts for
13 papers
Metamagnetism stabilized giant magnetoelectric coupling in ferroelectric \textit{x}BaTiO-(1-\textit{x})BiCoO solid solution
Lokanath Patra, Zhao Pan, Jun Chen +2
In order to establish the correlation between the magnetoelectric coupling and magnetic instability, we have studied the structural, magnetic, and ferroelectric properties of \text…
Theoretical Investigation on the Effect of multinary Isoelectronic Substitution on TiCoSb based half-Heusler alloys
Mukesh K. Choudhary, P. Ravindran
To understand the effect of isoelectronic substitution on thermoelectric properties of TiCoSb based half - Heusler (HH) alloys, we have systematically studied the transport propert…
A First Principle Study on Iron Substituted LiNi(BO3) to use as Cathode Material for Li-ion Batteries
Anu Maria Augustine, Vishnu Sudarsanan, Geo Sunny +1
In this work, the structural stability and the electronic properties of LiNiBO 3 and LiFe x Ni (1-x) BO 3 are studied using first principle calculations based on density functional…
Phosphorene-AsP Heterostructure as a Potential Excitonic Solar Cell Material - A First Principles Study
M. R. Ashwin Kishore, P. Ravindran
Solar energy conversion to produce electricity using photovoltaics is an emerging area in alternative energy research. Herein, we report on the basis of density functional calculat…
Magnetoelectric Properties of Pb Free Bi2FeTiO6: A Theoretical Investigation
Lokanath Patra, P. Ravindran
The structural, electronic, magnetic and ferroelectric properties of Pb free double perovskite multiferroic Bi2FeTiO6 are investigated using density functional theory within the ge…
Chemical Bonding Analysis on Amphoteric Hydrogen - Alkaline Earth Ammine Borohydrides
S Kiruthika, P Ravindran
Usually the ions in solid are in the positive oxidation states or in the negative oxidation state depending upon the chemical environment. It is highly unusual for an ion having bo…
Effect of multinary substitution on electronic and transport properties of TiCoSb based half-Heusler alloys
Mukesh K. Choudhary, P. Ravindran
The electronic structures of TixZrx/2CoPbxTex, TixZrx/2Hfx/2CoPbxTex (x = 0.5), and the parent compound TiCoSb were investigated using the full potential linearized augmented plane…
Search for Thermoelectrics with High Figure of Merit in half-Heusler compounds with multinary substitution
Mukesh K. Choudhary, P Ravindran
In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site. The electroni…
Theoretical Investigation of the Magnetoelectric Properties of Bi2NiTiO6
Lokanath Patra, P. Ravindran
We report the first principle investigations on the structural, electronic, magnetic and ferroelectric properties of a Pb free double perovskite multiferroic Bi2NiTiO6 using densit…
Prediction of Magnetoelectric behavior in Bi2MnTiO6
Lokanath Patra, P. Ravindran
We present results from ab initio calculations based on density functional theory for bismuth-based double perovskite Bi2MnTiO6. Using total energy calculation with stress and forc…
Structural Phase Stability in Fluorinated Calcium Hydride
R. Varunaa, P. Ravindran
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calcu…
Understanding H-defect complexes in ZnO
R. Vidya, P. Ravindran, H. Fjellvåg
From state-of-the-art density-functional calculations using hybrid functionals we show that, persistent -type conductivity in ZnO is due to defect complexes formed between H wit…
Itinerant metamagnetism and possible spin transition in LaCoO by temperature/hole doping
P. Ravindran, H. Fjellvåg, A. Kjekshus +3
The electronic structure of the perovskite LaSrCoO has been obtained as a function of Sr substitution and volume from a series of generalized-gradient-corrected, fu…