A5058710321- Heusler alloys: electronic and magnetic properties
- Magnetic and transport properties of perovskites and related materials
- MXene and MAX Phase Materials
- Advanced Thermoelectric Materials and Devices
- Advanced Condensed Matter Physics
- Perovskite Materials and Applications
- Thermal Expansion and Ionic Conductivity
- Chalcogenide Semiconductor Thin Films
- Boron and Carbon Nanomaterials Research
- ZnO doping and properties
- 2D Materials and Applications
- Intermetallics and Advanced Alloy Properties
- Inorganic Chemistry and Materials
- Hydrogen Storage and Materials
- Rare-earth and actinide compounds
- Multiferroics and related materials
- Optical properties and cooling technologies in crystalline materials
- Semiconductor materials and interfaces
- Advanced Welding Techniques Analysis
- Nuclear materials and radiation effects
- Nonlinear Optical Materials Studies
- Superconductivity in MgB2 and Alloys
- Machine Learning in Materials Science
- Solid-state spectroscopy and crystallography
- Polymer Nanocomposite Synthesis and Irradiation
Université de M'Sila
2014-2025
University Ferhat Abbas of Setif
2015-2024
A first-principles approach is used to study the structural, electronic and magnetic properties of ZrCoTiZ(Z = Si, Ge, Ga Al) quaternary Heusler compounds, using full-potential linearized augmented plane wave (FP-LAPW) scheme within GGA. Our calculations predict that ZrCoTiSi, ZrCoTiGe, ZrCoTiGa ZrCoTiAl are half-metallic ferromagnets (HMFs) with a HM flip gaps 1.03, 0.90, 0.68 0.59 eV, respectively. The half metallicity found be robust respect lattice compression maintained up constant...
The structural, electronic, magnetic and optical properties of suggested XAlO3 (X = Cs, Rb K) perovskites under pressure effects are investigated by means the first-principles calculations with technique Full Potential Linearly Augmented Plane Wave (FP-LAPW) implemented within Wien2k computer package. electronic exchange correlation energy is determined using Generalized Gradient Approximation together Spin–Orbit Interaction (GGA + SOI). lattice constant, bulk modulus its derivative...
Abstract Structural parameters, elastic constants, electronic band structures, and thermoelectric properties of K 2 ABF 6 (A = Ag, Na, B Rh, Pd, Ni, Nb, Ru, Ti) materials at zero pressure elevated temperatures have been studied. The computations presented within the density functional theory using Cambridge Serial Total Energy Package code. Special attention has given to studied for K‐based double perovskite materials. obtained results are generally found be in good agreement with available...
The outcomes of computational study electronic, magnetic and optical spectra for A2BX6 (A = Rb; B Tc, Pb, Pt, Sn, W, Ir, Ta, Sb, Te, Se, Mo, Mn, Ti, Zr X Cl, Br) materials have been proceeded utilizing Vanderbilt Ultra Soft Pseudo Potential (US-PP) process. Rb2PbBr6 Rb2PbCl6 are found to be a (Г-Г) semiconductors with energy gaps 0.275 1.142 eV, respectively making them promising photovoltaic materials. metallic behavior the Rb2BX6 (B Mo) has confirmed showing attendance conducting...
ABSTRACT In this work, the structural, electronic, mechanical, and hydrogen storage properties of B 12 H 20 N 2 were investigated using first‐principles calculations. First, we evaluate structural stability hydrides enthalpy formation Then, mechanical is specified by elastic stiffness constants, which reveal that are mechanically stable because they meet Born requirements. The computed lattice constant agrees very well with available experimental parameter. study electronic structure density...