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Structural, elastic and electronic properties of Ir-based carbides-antiperovskites Ir3MC (M = Ti, Zr, Nb and Ta) as predicted from first-principles calculations

Article ID Journal Published Year Pages File Type
5452938 Computational Condensed Matter 2017 9 Pages PDF
Keywords
AntiperovskitesElastic propertieselectronic structureDFT calculationsTernary carbides
Related Topics
Physical Sciences and Engineering Materials Science Materials Science (General)
Preview
Structural, elastic and electronic properties of Ir-based carbides-antiperovskites Ir3MC (M = Ti, Zr, Nb and Ta) as predicted from first-principles calculations
Authors
Vyacheslav V. Bannikov, Igor R. Shein, Dmitry V. Suetin,
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Journal
Computational Condensed Matter
Journal: Computational Condensed Matter
Related Categories
Antiperovskites
Elastic properties
electronic structure
DFT calculations
Ternary carbides
Biomaterials
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Electronic, Optical and Magnetic Materials
Materials Chemistry
Materials Science (General)
Metals and Alloys
Nanotechnology
Polymers and Plastics
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