Density Functional Theory Study of Electronic Structure, Elastic Properties and Phase Transition of Gallium Phosphide (GaP)

Kh. Kabita; Jameson Maibam; B. Indrajit Sharma; R. K. Thapa; R. K. Brojen Singh

doi:10.1166/asem.2014.1483

Density Functional Theory Study of Electronic Structure, Elastic Properties and Phase Transition of Gallium Phosphide (GaP)

Advanced Science Engineering and Medicine ◽

10.1166/asem.2014.1483 ◽

2014 ◽

Vol 6 (3) ◽

pp. 354-358 ◽

Cited By ~ 3

Author(s):

Kh. Kabita ◽

Jameson Maibam ◽

B. Indrajit Sharma ◽

R. K. Thapa ◽

R. K. Brojen Singh

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Electronic Structure ◽

Elastic Properties ◽

Density Functional ◽

Gallium Phosphide ◽

Density Functional Theory Study ◽

Functional Theory

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First principles phase transition, elastic properties and electronic structure calculations for cadmium telluride under induced pressure: density functional theory, LDA, GGA and modified Becke–Johnson potential

Materials Research Express ◽

10.1088/2053-1591/3/1/015901 ◽

2016 ◽

Vol 3 (1) ◽

pp. 015901 ◽

Cited By ~ 2

Author(s):

Kh Kabita ◽

Jameson Maibam ◽

B Indrajit Sharma ◽

R K Brojen Singh ◽

R K Thapa

Keyword(s):

Phase Transition ◽

Density Functional Theory ◽

Electronic Structure ◽

Cadmium Telluride ◽

Elastic Properties ◽

First Principles ◽

Density Functional ◽

Electronic Structure Calculations ◽

Functional Theory ◽

Structure Calculations

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Electronic transfer dynamics for bridged binuclear mixed-valence compounds: Density functional theory study on electronic structure in the ground state for the Creutz–Taube ion under asymmetric distortions

The Journal of Chemical Physics ◽

10.1063/1.480456 ◽

1999 ◽

Vol 111 (24) ◽

pp. 10926-10933 ◽

Cited By ~ 4

Author(s):

Zhida Chen ◽

Jiang Bian ◽

Lei Zhang ◽

Shuzhou Li

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Ground State ◽

Density Functional ◽

Mixed Valence ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Transfer ◽

Mixed Valence Compounds

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Density functional theory study on the electronic structure of UAl3 a nd USn3

Acta Physica Sinica ◽

10.7498/aps.52.3142 ◽

2003 ◽

Vol 52 (12) ◽

pp. 3142

Author(s):

Tan Ming-Qiu ◽

Tao Xiang-Ming ◽

Xu Xiao-Jun ◽

Cai Jian-Qiu

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Electronic Structure of Metal/Molecule//Metal Junctions: A Density Functional Theory Study of the Influence of the Molecular Terminal Group†

The Journal of Physical Chemistry B ◽

10.1021/jp053673i ◽

2006 ◽

Vol 110 (8) ◽

pp. 3493-3498 ◽

Cited By ~ 31

Author(s):

Q. Sun ◽

A. Selloni ◽

G. Scoles

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Terminal Group ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structure Of Metal

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Density Functional Theory Study on the Electronic Structure and Optical Properties of Sb-doped SnO2

Laser & Optoelectronics Progress ◽

10.3788/lop52.081601 ◽

2015 ◽

Vol 52 (8) ◽

pp. 081601 ◽

Cited By ~ 1

Author(s):

邵婷婷 Shao Tingting ◽

张富春 Zhang Fuchun ◽

崔红卫 Cui Hongwei

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Electronic structure, elastic properties, surface energies, and work functions ofNiGeandPtGewithin the framework of density-functional theory for various surface terminations

Physical Review B ◽

10.1103/physrevb.75.085326 ◽

2007 ◽

Vol 75 (8) ◽

Cited By ~ 22

Author(s):

Manish K. Niranjan ◽

Leonard Kleinman ◽

Alexander A. Demkov

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Elastic Properties ◽

Density Functional ◽

Functional Theory ◽

Surface Energies ◽

Work Functions

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A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

The Journal of Chemical Physics ◽

10.1063/1.1888370 ◽

2005 ◽

Vol 122 (17) ◽

pp. 174709 ◽

Cited By ~ 143

Author(s):

F. Viñes ◽

C. Sousa ◽

P. Liu ◽

J. A. Rodriguez ◽

F. Illas

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of electronic structure and optical properties of YGa2

Computational Materials Science ◽

10.1016/j.commatsci.2020.109898 ◽

2020 ◽

Vol 184 ◽

pp. 109898

Author(s):

M. Sahakyan ◽

V.H. Tran

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Structural and elastic properties of CaCO3 hydrated phases: A dispersion-corrected density functional theory study

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2019.109295 ◽

2020 ◽

Vol 138 ◽

pp. 109295

Author(s):

G. Chahi ◽

D. Bradai ◽

I. Belabbas

Keyword(s):

Density Functional Theory ◽

Elastic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A quantum Monte Carlo and density functional theory study of the electronic structure of peroxynitrite anion

The Journal of Chemical Physics ◽

10.1063/1.1544732 ◽

2003 ◽

Vol 118 (11) ◽

pp. 4987-4992 ◽

Cited By ~ 3

Author(s):

J. A. W. Harkless ◽

J. H. Rodriguez ◽

L. Mitas ◽

W. A. Lester

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Electronic Structure ◽

Quantum Monte Carlo ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Peroxynitrite Anion

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