60 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of OsloNO13 papers
- Anna University, ChennaiIN2 papers
- Tokyo Institute of TechnologyJP2 papers
- University of PaduaIT2 papers
- University of Science and Technology BeijingCN2 papers
- Wuhan University of Science and TechnologyCN2 papers
- Argonne National LaboratoryUS1 paper
- Brunel University of LondonGB1 paper
- Centro de Física das Universidades do Minho e do PortoPT1 paper
- Geotechnical and Structures LaboratoryUS1 paper
- Indian Institute of Remote SensingIN1 paper
- Indian Institute of Technology BombayIN1 paper
15 papers · 1 filter
Ferroelectricity in epitaxially strained rhombohedral ZrO2 thin films
J. P. B. Silva, R. F. Negrea, M. C. Istrate +7
Zirconia and hafnia based thin films have attracted tremendous attention in the last decade due to their unexpected ferroelectric behavior at the nanoscale, which facilitates the d…
Ti4+ Substituted Magnesium Hydride as Promising Material for Hydrogen Storage and Photovoltaic Applications
R Varunaa, S Kiruthika, P Ravindran
In order to overcome the disadvantages of MgH2 towards its applications in on-board hydrogen storage, first principle calculations have been performed for Ti (2+, 3+, and 4+) subst…
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…
Giant Negative Thermal Expansion Induced by the Synergistic Effects of Ferroelectrostriction and Spin-Crossover in PbTiO3-Based Perovskites
Zhao Pan, Jun Chen, Runze Yu +18
The discovery of unusual negative thermal expansion (NTE) provides the opportunity to control the common but much desired property of thermal expansion, which is valuable not only…
Amphoteric behavior of hydrogen (H+1and H-1) in complex hydrides from van der Waals interaction included ab-initio calculation
S Kiruthika, H. Fjellvag, P Ravindran
In order to identify potential hydrogen storage materials, worldwide attention has been focused on hydrides with high gravimetric and volumetric capacity. Hydrogen is a unique elem…
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…
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…
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…
Theoretical and Experimental Investigation on Structural, Electronic and Magnetic Properties of layered Mn5O8
M. R. Ashwin Kishore, H. Okamoto, Lokanath Patra +4
We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NP…
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…