Density Functional Theory Calculation on Electronic Structure and Optical Properties of Copper Doped SnO2

Proceedings of the 2015 International Conference on Materials, Environmental and Biological Engineering ◽

10.2991/mebe-15.2015.123 ◽

2015 ◽

Author(s):

Weigen Wu

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Theory Calculation

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Density functional theory calculation of the optical properties and topological analysis of the electron density of MBi2B2O7 (M = Ca,Zn) compounds

Journal of Applied Physics ◽

10.1063/1.4792733 ◽

2013 ◽

Vol 113 (8) ◽

pp. 083505 ◽

Author(s):

I. Merad Boudia ◽

A. H. Reshak ◽

T. Ouahrani ◽

Z. Bentalha

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electron Density ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Topological Analysis ◽

Functional Theory ◽

Theory Calculation

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Effects of doping Na and Cl atom on electronic structure of silicene: Density functional theory calculation

10.1063/1.5030880 ◽

2018 ◽

Author(s):

Mauludi Ariesto Pamungkas ◽

Kafi Sobirin ◽

Abdurrouf

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Theory Calculation ◽

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Transport properties of APdCu(Se2)(Se3) (A = K and Rb): new quaternary copper palladium polyselenides

RSC Advances ◽

10.1039/c4ra02465f ◽

2014 ◽

Vol 4 (39) ◽

pp. 20102-20113 ◽

Author(s):

Sikander Azam ◽

A. H. Reshak

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electrical Transport ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Transport Coefficients ◽

Generalized Gradient ◽

Functional Theory ◽

Generalized Gradient Approximation ◽

Theory Calculation

The electronic structure, effective mass, optical properties and electrical transport coefficients of APdCu(Se2)(Se3) (where A = K and Rb), a new quaternary copper palladium polyselenide, were investigated using a density functional theory calculation within a generalized gradient approximation (GGA) plus the Hubbard term (U) (GGA + U).

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Effects of Sodium and Chlorine Doping on Optical Properties of Germanene: Density Functional Theory Calculation

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/299/1/012045 ◽

2018 ◽

Vol 299 ◽

pp. 012045

Author(s):

Mauludi Ariesto Pamungkas ◽

Istiroyah ◽

Muhammad Fikri Salim ◽

Dina Nurul Afifah

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Chlorine Doping ◽

Theory Calculation

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Investigation of electronic structure of amorphous niobium oxide based on the density functional theory calculation of crystalline niobium pentoxide polymorphs

Journal of the Ceramic Society of Japan ◽

10.2109/jcersj2.16180 ◽

2016 ◽

Vol 124 (12) ◽

pp. 1221-1225 ◽

Author(s):

Chinatsu OKI ◽

Go SAJIKI ◽

Shinichi SAKIDA ◽

Yasuhiko BENINO ◽

Tokuro NANBA

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Niobium Oxide ◽

Density Functional Theory Calculation ◽

Niobium Pentoxide ◽

Functional Theory ◽

The Density Functional Theory ◽

Theory Calculation

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Structural, electronic and optical properties of C/P co-doped two-dimensional AlN by density functional theory calculation

Computational Materials Science ◽

10.1016/j.commatsci.2021.110603 ◽

2021 ◽

Vol 197 ◽

pp. 110603

Author(s):

Songhu Bi ◽

Peng Bi ◽

Mingzhe Xue

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Two Dimensional ◽

Functional Theory ◽

Electronic And Optical Properties ◽

Theory Calculation ◽

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The optical properties of GaN (001)surface modified by intrinsic defects from density functional theory calculation

Optik ◽

10.1016/j.ijleo.2017.10.040 ◽

2018 ◽

Vol 154 ◽

pp. 378-382 ◽

Author(s):

Jiabin Li ◽

Hongxia Liu ◽

Lei Wu

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Intrinsic Defects ◽

Surface Modified ◽

Theory Calculation

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Prediction of electronic structure, dielectric and thermodynamical properties of flurbiprofen by density functional theory calculation

Karbala International Journal of Modern Science ◽

10.1016/j.kijoms.2017.10.001 ◽

2018 ◽

Vol 4 (1) ◽

pp. 12-20 ◽

Author(s):

G.W. Ejuh ◽

M.T. Ottou Abe ◽

F. Tchangwa Nya ◽

J.M.B. Ndjaka

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Thermodynamical Properties ◽

Theory Calculation

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Density Functional Theory Calculation on the Structural, Electronic, and Optical Properties of Fluorene-Based Azo Compounds

ACS Omega ◽

10.1021/acsomega.9b03839 ◽

2020 ◽

Vol 5 (9) ◽

pp. 4507-4531 ◽

Author(s):

Khurshida Khayer ◽

Tahmina Haque

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Azo Compounds ◽

Functional Theory ◽

Electronic And Optical Properties ◽

Theory Calculation

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The Electronic Structure and Formation Energies of Ni-doped CuAlO 2 by Density Functional Theory Calculation

Chinese Physics Letters ◽

10.1088/0256-307x/31/3/037101 ◽

2014 ◽

Vol 31 (3) ◽

pp. 037101 ◽

Author(s):

Ying Xu ◽

Fei Li ◽

Wei Sheng ◽

Guo-Zheng Nie ◽

Ding-Wang Yuan

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Functional Theory ◽

Theory Calculation ◽

Formation Energies

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