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Materials physics and mechanics Peter the Great St. Petersburg Polytechnic University
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Articles by keywords "density functional theory"

Computational study of Ba-doped TiO3 perovskites for solar energy applications

Kumar A. Srivastava R. Kumar A. Kumar R. Kumar S. Chand R. Saxena D. Kumar A.
  • Year: 2025
  • Volume: 53
  • Issue: 6
  • 24
  • 319
  • Pages: 53-62

Electronic properties of phosphorene with vacancies: ab initio study

Veranika Skachkova
  • Year: 2018
  • Volume: 39
  • Issue: 1
  • 14
  • 2515
  • Pages: 35-42

Direct exchange interaction of cobalt chains in zinc oxide: model approach

M.S. Baranova A.L. Danilyuk V. Stempitsky
  • Year: 2018
  • Volume: 39
  • Issue: 1
  • 11
  • 2498
  • Pages: 15-20