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- Title
Physical properties of ternary silicide superconductors Li<sub>2</sub>XSi<sub>3</sub> (X = Rh, Os): An ab initio study.
- Authors
Alam, M. A.; Zilani, M. A. K.; Parvin, F.; Hadi, M. A.
- Abstract
An ab initio method, based on the plane wave pseudopotential and the generalized gradient approximation (GGA), is performed to investigate the physical properties such as structural, elastic, electronic and bonding properties of newly synthesized Li2RhSi3 and predicted Li2OsSi3 ternary silicide superconductors for the first time. Both of these compounds are mechanically stable and are brittle in nature. They also have good machinability. Electronic band structures reveal that these compounds have metallic characteristics. They possess complex bonding nature (metallic, covalent and ionic). According to theoretical Vickers hardness, Li2RhSi3 is softer than Li2OsSi3.
- Subjects
TERNARY superconductors; SILICIDES; PLANE wavefronts; AB initio quantum chemistry methods; ELASTIC properties of metals; ELECTRIC properties of metals; ELECTRONIC band structure; COVALENT bonds
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, Vol 31, Issue 20, p-1
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979217501351