Volume 24 (2024)
Volume 23 (2023)
Volume 22 (2022)
Volume 21 (2021)
Volume 20 (2020)
Volume 19 (2019)
Volume 18 (2018)
Volume 17 (2017)
Volume 16 (2016)
Volume 15 (2015)
Volume 14 (2014)
Volume 13 (2013)
Volume 12 (2012)
Volume 11 (2011)
Volume 10 (2010)
Volume 9 (2009)
Volume 8 (2008)
Volume 7 (2007)
Volume 6 (2006)
Volume 5 (2005)
Volume 4 (2004)
Volume 3 (2002)
Volume 2 (2000)
Volume 1 (1996)
Keywords = DFT
Number of Articles: 14
The first-principle study of N2O gas interaction on the surface of pristine and Si-, Ga-, SiGa-doped of armchair boron phosphide nanotube: DFT method
Volume 20, Issue 3, December 2020, Pages 39-49
Calculation of the structural and electronic properties of III-V semiconductor compounds using advanced functionals of density functional theory
Volume 20, Issue 1, July 2020, Pages 39-48
Magnetic properties of single 3d-transition metals added on 2D hexagonal Boron Nitride
Volume 17, Issue 3, September 2017, Pages 397-409
The first-principle study of N2O gas interaction on the surface of pristine and Si-, Ga-, SiGa-doped of armchair boron phosphide nanotube using DFT method
Volume 16, Issue 3, December 2016, Pages 75-86
Magnetic properties of zigzag (0,9) GaAs nanotube doped with 3d transition metals
Volume 16, Issue 1, June 2016, Pages 35-44
Interaction between F2 gas with the pristine and 3C-doped(4, 4) armchair boron phosphide nanotubes: a DFT study
Volume 15, Issue 3, December 2015, Pages 344-344
Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110) states
Volume 15, Issue 1, July 2015, Pages 1-8
Theoretical study of the structural stability for fcc-CHx phases using density functional theory
Volume 11, Issue 2, September 2011, Pages 129-138
The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds
Volume 10, Issue 3, December 2010, Pages 187-196
Ab inito calculations of Hubbard parameters for NiO and Gd crystals
Volume 8, Issue 3, July 2008, Pages 143-152
Ab initio study of solid CeIn3 at high pressures
Volume 8, Issue 2, June 2008, Pages 99-107
Optical properties and electronic structure of ceramics tetragonal PbTiO3 by using full-potential linearized augmented plane wave
Volume 6, Issue 4, December 2006, Pages 261-266
Calculation of optical properties and electronic structure of BaTiO3
Volume 5, Issue 1, June 2005, Pages 47-52
Calculation of electronic structure and density of state for BaTiO3
Volume 3, Issue 3, December 2002, Pages 169-175