All Stories

  1. Assessing the structural, electronic, elastic and thermoelectric properties of PtTiSn and PdLaBi transition metal alloys from the first-principles prospective
  2. Thermoelectric and mechanical properties of XHfSn (X=Ni, Pd and Pt) semiconducting Half-heusler alloys: A first-principles study
  3. First principles comparative studies of thermoelectric and other properties in the cubic and hexagonal structure of CsCdCl3 halide perovskites
  4. First-principle survey of structural, electronic, and optical properties of zinc-blende BxAlyGa1-x-yN quaternary alloy
  5. Elastic constants and mechanical properties of PEDOT from first principles calculations
  6. Elastic constants and observed ferromagnetism in inverse Heusler alloy Ti 2 CoAs using kjpaw pseudopotentials: A first-principles approach
  7. Increased Malleability in Tetragonal Zrx Ti1−x O2 Ternary Alloys: First-Principles Approach
  8. First-principles study of zinc-blende BxAlyIn1−x−yN quaternary alloy: Alchemical mixing approximation approach
  9. Prediction of metallic and half-metallic structure and elastic properties of
  10. Structural, Electronic, Magnetic and Optical Properties of Ni,Ti/Al-based Heusler Alloys: A First-Principles Approach
  11. ELECTRONIC AND ELASTIC PROPERTIES OF ZINC-BLENDE MgSe
  12. First principles studies of band structure and electronic properties of ZnSe
  13. Electronic structure and optical properties of from ab initio calculations