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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Niranjan, Manish K.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2019Surface electronic structure, relaxations and thermodynamic energies of (100), (110) and (111) surfaces of Mg2Si: A first-principles theoretical study
- 2019Ferroelectric superlattices at nano scale: A Theoretical Investigation
- 2018Optimum discharge energy density at room temperature in relaxor K 1/2 Bi 1/2 TiO 3 for green energy harvesting
- 2017Phase stability and elastic properties of β Ti-Nb-X (X=Zr, Sn) alloys: An ab-initio density functional studycitations
- 2016Synthesis And Characterization of ferroelectric material (Na0.5Bi0.5)TiO3- Eu2O3
- 2015Microstructural studies of AgNbO3 ceramic by using complex impedance spectroscopy
- 2015Theoretical Investigation of Crystal and Electronic Structure of piezoelectric AgNb0.5Ta0.5O3
- 2012First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi
- 2011Metallic and Insulating Oxide Interfaces Controlled by Electronic Correlations
- 2010Suppression of Octahedral Tilts and Associated Changes in Electronic Properties at Epitaxial Oxide Heterostructure Interfaces
Places of action
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article
First principles study of structural, electronic and elastic properties of cubic and orthorhombic RhSi
Abstract
Metal silicides are of great interest due to their numerous applications and interesting properties. Here we present a comprehensive theoretical study of structural, electronic and elastic properties of orthorhombic and cubic phases of rhodium silicide (RhSi) within the framework of density functional theory. The calculated lattice constants and internal in-plane atomic parameters are in good agreement with reported experimental values. The average elastic moduli of polycrystalline aggregates and the Debye temperature are obtained from calculated values of the single crystal elastic constants. The calculated directional dependent bulk and the Young's moduli of orthorhombic RhSi along b axis are found to be significantly smaller than those along a and c axes. Our results suggest strong elastic anisotropy in RhSi