All Stories

  1. Ab-initio Calculations of Structural, Vibrational, Electronic and Elastic Properties of Fluorite Minerals: A Computer Simulation Approach
  2. First principles investigation of electronic and elastic properties of strontium oxide and strontium peroxide phases: insights into structural stability and phase transitions
  3. Investigating Electronic, Optical, Thermodynamic, and Thermoelectric Properties of SrO and SrO2 Phases: A Density Functional Theory Approach
  4. First principles investigation of thermoelectric properties of TiBeO3
  5. Investigation of thermoelectric properties of galena using density functional theory
  6. Adverse effect of K-Mesh shifting in several crystal Systems: An analytical study
  7. To investigate electronic properties of AlHO2 doped with trivalent impurities (Ga, In, Tl) by using density functional theory
  8. Elastic constants of beryllium oxide: A first-principles investigation
  9. To Study the Structural and Electronic Properties of TiBeO3 Using Density Functional Theory