| People | Locations | Statistics |
|---|---|---|
| Naji, M. |
| |
| Motta, Antonella |
| |
| Aletan, Dirar |
| |
| Mohamed, Tarek |
| |
| Ertürk, Emre |
| |
| Taccardi, Nicola |
| |
| Kononenko, Denys |
| |
| Petrov, R. H. | Madrid |
|
| Alshaaer, Mazen | Brussels |
|
| Bih, L. |
| |
| Casati, R. |
| |
| Muller, Hermance |
| |
| Kočí, Jan | Prague |
|
| Šuljagić, Marija |
| |
| Kalteremidou, Kalliopi-Artemi | Brussels |
|
| Azam, Siraj |
| |
| Ospanova, Alyiya |
| |
| Blanpain, Bart |
| |
| Ali, M. A. |
| |
| Popa, V. |
| |
| Rančić, M. |
| |
| Ollier, Nadège |
| |
| Azevedo, Nuno Monteiro |
| |
| Landes, Michael |
| |
| Rignanese, Gian-Marco |
|
León-Flores, J.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (3/3 displayed)
- 2024Magnetic and optical properties of ZnO nanoparticles and nanorods synthesized by green chemistrycitations
- 2020LDA+U study of hydrostatic pressure effect on double perovskite Sr2FeNbO6: crystal structure, mechanical and electronic propertiescitations
- 2019Ab Initio study of the crystal structure and the elastic properties of the Mo0.85Nb0.15B3 compound under pressure.citations
Places of action
| Organizations | Location | People |
|---|
article
Ab Initio study of the crystal structure and the elastic properties of the Mo0.85Nb0.15B3 compound under pressure.
Abstract
<jats:title>ABSTRACT</jats:title><jats:p>The elastic constants, elastic modulus, anisotropy, Debye temperature, and sound velocity properties of Mo<jats:sub>0.85</jats:sub>Nb<jats:sub>0.15</jats:sub>B<jats:sub>3</jats:sub> were investigated by first-principles calculations under pressure based on the generalized gradient approximation (GGA) proposed by Perdew–Burke-Ernzerhof (PBE). Employing the stress-strain method and the Voigt-Reuss-Hill approximations, were calculated the elastic properties of single and polycrystalline crystals; Bulk modulus (B), Young modulus (E), Poisson ratio (ν), Pugh ratio (G/B), Debye temperature and the Cauchy pressure terms. The calculated ν, Cauchy pressure, and Pugh ratio G/B values indicate that Mo<jats:sub>0.85</jats:sub>Nb<jats:sub>0.15</jats:sub>B<jats:sub>3</jats:sub> shows a transition from brittle to ductile under pressure. Finally, the Density of States decreases as pressure increases.</jats:p>