A5036132857- 2D Materials and Applications
- MXene and MAX Phase Materials
- Advanced Thermoelectric Materials and Devices
- Graphene research and applications
- Perovskite Materials and Applications
- Boron and Carbon Nanomaterials Research
- Advancements in Battery Materials
- Chalcogenide Semiconductor Thin Films
- Magnetic and transport properties of perovskites and related materials
- Heusler alloys: electronic and magnetic properties
- Multiferroics and related materials
- Advanced Battery Materials and Technologies
- Thermal Expansion and Ionic Conductivity
- Topological Materials and Phenomena
- Solid-state spectroscopy and crystallography
- Rare-earth and actinide compounds
- Catalytic Processes in Materials Science
- Advanced Condensed Matter Physics
- Transition Metal Oxide Nanomaterials
- Ga2O3 and related materials
- Ammonia Synthesis and Nitrogen Reduction
- GaN-based semiconductor devices and materials
- Hydrogen Storage and Materials
- Semiconductor materials and devices
- Nuclear Materials and Properties
Abdelmalek Essaâdi University
2019-2025
Université de Haute-Alsace
2016-2020
Centre National de la Recherche Scientifique
2017-2020
Université de Strasbourg
2019-2020
Moroccan Foundation for Advanced Science, Innovation and Research
2014-2017
Mohammed V University
2016
Institut de Sciences des Matériaux de Mulhouse
2016
In this paper, the mechanical, elastic, electronic and optical properties of thallium based-perovskites TlSnX 3 (X = F, Cl, Br I) were investigated using first-principles calculations. The elastic parameters calculations show that perovskites are ductile, anisotropic, mechanically stables. cohesive energy indicate evaluated thermodynamically stable. Moreover, band with HSE06 method reveal all present a semiconductor feature. Further, such as reflectivity, refractive index, extinction...
Abstract In this paper, the first‐principles calculations based on Density Functional Theory (DFT) have been used to study effect of strain structural, electronic, optical and thermoelectric properties puckered Si 2 SeS monolayer. Our show that monolayer has an indirect band gap 1.30 eV at equilibrium state, which can be tuned by biaxial semiconductor–metal phase transition occurs −10%. Interestingly, a high absorption coefficient exceeds 10 7 cm −1 in visible light region under compression...
Silicene and germanene freestanding layers are usually described as a honeycomb lattice formed by two hexagonal sub-lattices presenting height difference, namely the layer buckling. In this work, first-principles calculations show that silicene can be rippled at 0 K with various wavelengths, without any compressive strain of layer. For germanene, difference between Ge atoms from same sub-lattice high 4.7 for an undulation length 81 . The deformations related to slight (lower than 1.7°) bond...