All Stories

  1. First-Principles Insights into the Effect of Ta Substitution on Structural, Electronic, Thermodynamic, and Thermoelectric Properties of GaNiSb Half-Heusler Alloys
  2. Exploring theoretical aspects of the thermodynamic, optical, structural, and electronic characteristics of the zinc-blend BexZn1-xO ternary alloy
  3. An in-depth look at the structural, electronic, optical, and thermal properties of the cubic Be x Mg y Zn1−x−y O quaternary alloys
  4. An investigation using DFT methods on the electronic and optical properties, and mechanical behavior of the wurtzite ZnO1-xTex ternary alloy
  5. Theoretical investigation of the structural, electronic, optical, and elastic properties of the zinc blende SiGe1 − xSnx ternary alloy
  6. Structural, optoelectronic and thermodynamic characteristic of orthorhombic SnZrCH3(CH=S, Se) compounds: Insights from DFT computations
  7. First principles calculation of the structural, electronic, optical and elastic properties of the cubic Al Ga1-Sb ternary alloy
  8. Phase stability, mechanical, electronic and thermodynamic properties of the Ga3Sc compound: An ab-initio study
  9. First principle study of the structural, electronic, optical and thermodynamic properties of the cubic Al1−xBxAs ternary alloys
  10. Pressure effect on structural, electronic optical and thermodynamic properties of cubic AlxIn1-xP: a first-principles study
  11. An ab-initio investigation of the electronic structure, chemical bonding and optical properties of Ba2HgS5 semiconductor
  12. First-Principle Calculation of Structural, Mechanical, Electronic and Magnetic Properties of Cobalt Sub Hydrides Co2H and Co3H
  13. First-Principle Study of the Structural, Electronic, and Optical Properties of Cubic InNxP1–x Ternary Alloys under Hydrostatic Pressure
  14. Pressure Effect on Structural, Electronic and optical properties of Zinc blend MgO solid solution
  15. First-Principles Study of Cubic BxIn1-xN Ternary Alloys
  16. Structural and electronic properties of zinc blend GaAs1−xBix solid solutions