Articles by keywords "density functional theory"

The influence of hole states on the electronic and electrostatic properties of 2D layers based on the silicon-germaniumsilicon heterostructure

Condensed matter physics
  • Year: 2025
  • Volume: 18
  • Issue: 2
  • 2
  • 127
  • Pages: 22-29

Ab initio study of In adsorption on AlxGa1–xAs substrates at the first stages of droplet epitaxy

Simulation of physical processes
  • Year: 2024
  • Volume: 17
  • Issue: 3.1
  • 11
  • 1206
  • Pages: 100-104

Ab initio modelling of In wetting layer formation on As-stabilized GaAs during first stages of droplet epitaxy

Simulation of physical processes
  • Year: 2023
  • Volume: 16
  • Issue: 3.1
  • 9
  • 2587
  • Pages: 193-197

Atomic and electronic structure of YFeO3 surface with oxygen vacancies

Simulation of physical processes
  • Year: 2022
  • Volume: 15
  • Issue: 3.1
  • 22
  • 3947
  • Pages: 65-70

The interactions between some impurity atoms and vacancies in titanium and aluminum metals: an ab initio study

Condensed matter physics
  • Year: 2016
  • Issue: 2
  • 332
  • 7562
  • Pages: 44-54

Energy characteristics of the surfaces of alkali metals with consideration for the friedel oscillations of the electron density

Condensed matter physics
  • Year: 2014
  • Issue: 4
  • 411
  • 8075
  • Pages: 9-18

he intervalley electron-phonon scattering in the A[III]B[V] crystal

Condensed matter physics
  • Year: 2009
  • Issue: 2
  • 0
  • 7748
  • Pages: 34-38

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