Theoretical investigation on MgV2O6: ab-initio study
| Autor: | Md. Zahidur Rahaman, M. S. Ali, Md. Abdur Razzaque Sarker, Md. Atikur Rahman |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Materials science
Ab initio 02 engineering and technology Electronic structure 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Vanadium oxide Condensed Matter::Materials Science symbols.namesake Ab initio quantum chemistry methods 0103 physical sciences Physics::Atomic and Molecular Clusters symbols Physical chemistry Physics::Atomic Physics Physics::Chemical Physics 010306 general physics 0210 nano-technology Debye model |
| Zdroj: | Philosophical Magazine. 98:2077-2093 |
| ISSN: | 1478-6443 1478-6435 |
| DOI: | 10.1080/14786435.2018.1468094 |
| Popis: | DFT-based ab-initio calculations have been performed to study the mechanical, structural, electronic, optical and thermodynamic properties of Mg-based vanadium oxide MgV2O6. The evaluated unit cell... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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