Phase transition, mechanical stability and optical response of MnSe: Pressure effect
| Autor: | Laurent Tabourot, Abdelghani Khaldi, Hatem Ghodbane, Nadir Bouarissa |
|---|---|
| Přispěvatelé: | Université Mohamed Boudiaf de M'sila, Laboratoire SYstèmes et Matériaux pour la MEcatronique (SYMME), Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry]) |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Work (thermodynamics) Structural phase Phase transition Materials science Thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Stability (probability) Transition pressure Electronic Optical and Magnetic Materials [SPI.MAT]Engineering Sciences [physics]/Materials Pseudopotential Mechanical stability Phase (matter) 0103 physical sciences [NLIN]Nonlinear Sciences [physics] Electrical and Electronic Engineering 0210 nano-technology ComputingMilieux_MISCELLANEOUS |
| Zdroj: | Physica B: Condensed Matter Physica B: Condensed Matter, Elsevier, 2019, 553, pp.6-10 |
| ISSN: | 0921-4526 |
| Popis: | We investigate the structural phase transition, elastic constants and their related mechanical properties, stability and optical response of zinc-blende MnSe by the pseudopotential plane-wave method within the generalized gradient approximation using different parameterizations. At zero pressure, our findings show generally a reasonably good accord with available data reported in the literature. Nevertheless, in most cases, our results are predictions. The transition pressure from zinc-blende phase to NaCl phase is found to occur at pressure of 1 GPa. The mechanical stability criteria are fulfilled for all pressures being considered in the present work. All features of interest are affected by the presence of pressure leading to new physical properties of the material in question. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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