All Stories

  1. Structural, electronic and thermoelectric properties of NiScBi and PdScBi Half-Heusler alloys from first principles
  2. Unveiling the Doping- and Temperature-Dependent Properties of Organic Semiconductor Orthorhombic Rubrene from First Principles
  3. Unveiling the Doping and Temperature Dependent Properties of Organic Semiconductor Orthorhombic Rubrene from First-Principles
  4. Unveiling the mechanical and dynamical stability to the contribution of transport properties of FeNbSb: A first principle approach
  5. Electronic and phonon contributions to the Thermoelectric properties of newly discovered half-Heusler alloys XHfPb (X= Ni, Pd, and Pt)
  6. First-Principles Calculations of the Phonon, Mechanical and Thermoelectric Properties of Half-Heusler Alloy VIrSi Alloys
  7. First-principles calculations of the phonon, mechanical and Thermoelectric properties of half-Heusler alloy VIrSi alloys
  8. Assessing the structural, electronic, elastic and thermoelectric properties of PtTiSn and PdLaBi transition metal alloys from the first-principles prospective
  9. Thermoelectric and mechanical properties of XHfSn (X=Ni, Pd and Pt) semiconducting Half-heusler alloys: A first-principles study
  10. First principles comparative studies of thermoelectric and other properties in the cubic and hexagonal structure of CsCdCl3 halide perovskites
  11. First-principle survey of structural, electronic, and optical properties of zinc-blende BxAlyGa1-x-yN quaternary alloy
  12. Elastic constants and mechanical properties of PEDOT from first principles calculations
  13. Elastic constants and observed ferromagnetism in inverse Heusler alloy Ti 2 CoAs using kjpaw pseudopotentials: A first-principles approach
  14. Increased Malleability in Tetragonal Zrx Ti1−x O2 Ternary Alloys: First-Principles Approach
  15. First-principles study of zinc-blende BxAlyIn1−x−yN quaternary alloy: Alchemical mixing approximation approach
  16. Prediction of metallic and half-metallic structure and elastic properties of
  17. Structural, Electronic, Magnetic and Optical Properties of Ni,Ti/Al-based Heusler Alloys: A First-Principles Approach
  18. ELECTRONIC AND ELASTIC PROPERTIES OF ZINC-BLENDE MgSe
  19. First principles studies of band structure and electronic properties of ZnSe
  20. Electronic structure and optical properties of from ab initio calculations