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20112025
most citedFerroelectricity in epitaxially strained rhombohedral ZrO2 thin films

60 citations

Showing 2017 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2017★ 1 cited

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…

cond-mat.mtrl-sci2017

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…

cond-mat.mtrl-sci2017★ 2 cited

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…

cond-mat.mtrl-sci2017★ 2 cited

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…

cond-mat.mtrl-sci2017

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…