Hybrid density functional theory study of band gap tuning in AlN and GaN through equibiaxial strains

Yifeng Duan; Lixia Qin; Liwei Shi; Gang Tang; Hongliang Shi

doi:10.1063/1.3675864

Hybrid density functional theory study of band gap tuning in AlN and GaN through equibiaxial strains

Applied Physics Letters ◽

10.1063/1.3675864 ◽

2012 ◽

Vol 100 (2) ◽

pp. 022104 ◽

Cited By ~ 27

Author(s):

Yifeng Duan ◽

Lixia Qin ◽

Liwei Shi ◽

Gang Tang ◽

Hongliang Shi

Keyword(s):

Density Functional Theory ◽

Band Gap ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Band Gap Tuning ◽

Hybrid Density Functional

Download Full-text

A Hybrid Density Functional Theory Study of Band Gap Tuning in ZnO through Pressure

Chinese Physics Letters ◽

10.1088/0256-307x/29/11/117104 ◽

2012 ◽

Vol 29 (11) ◽

pp. 117104 ◽

Cited By ~ 3

Author(s):

Bo-Tao Zhao ◽

Yi-Feng Duan ◽

Hong-Liang Shi ◽

Li-Xia Qin ◽

Li-Wei Shi ◽

...

Keyword(s):

Density Functional Theory ◽

Band Gap ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Band Gap Tuning ◽

Hybrid Density Functional

Download Full-text

Hybrid Density Functional Theory Study on Structural and Optoelectronic Properties of ZnSe1–xTex for the Photocatalytic Applications

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03670 ◽

2021 ◽

Author(s):

Sajjad Hussain ◽

Lingju Guo ◽

Tao He

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Optoelectronic Properties ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Optoelectronic Properties ◽

Hybrid Density Functional ◽

Photocatalytic Applications

Download Full-text

Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00545 ◽

2019 ◽

Vol 15 (11) ◽

pp. 6294-6312 ◽

Cited By ~ 9

Author(s):

Tilak Das ◽

Giovanni Di Liberto ◽

Sergio Tosoni ◽

Gianfranco Pacchioni

Keyword(s):

Density Functional Theory ◽

Metal Oxides ◽

Band Gap ◽

Density Functional ◽

2D Materials ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Hybrid Density Functional

Download Full-text

Hybrid density functional theory study of vanadium doping in stoichiometric and congruent LiNbO3

Physical Review B ◽

10.1103/physrevb.99.035147 ◽

2019 ◽

Vol 99 (3) ◽

Cited By ~ 6

Author(s):

Yongjun Fan ◽

Lili Li ◽

Yanlu Li ◽

Xueqin Sun ◽

Xian Zhao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vanadium Doping ◽

Hybrid Density Functional

Download Full-text

Hybrid density functional theory study of Cu(In1−xGax)Se2 band structure for solar cell application

AIP Advances ◽

10.1063/1.4893238 ◽

2014 ◽

Vol 4 (8) ◽

pp. 087118 ◽

Cited By ~ 6

Author(s):

Xu-Dong Chen ◽

Lin Chen ◽

Qing-Qing Sun ◽

Peng Zhou ◽

David Wei Zhang

Keyword(s):

Density Functional Theory ◽

Solar Cell ◽

Band Structure ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Solar Cell Application ◽

Hybrid Density Functional

Download Full-text

New Insights into the Band-Gap Narrowing of (N, P)-Codoped TiO2 from Hybrid Density Functional Theory Calculations

ChemPhysChem ◽

10.1002/cphc.201100313 ◽

2011 ◽

Vol 12 (14) ◽

pp. 2604-2608 ◽

Cited By ~ 26

Author(s):

Run Long ◽

Niall J. English

Keyword(s):

Density Functional Theory ◽

Band Gap ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Codoped Tio2 ◽

Band Gap Narrowing ◽

Hybrid Density Functional

Download Full-text

High level ab initio and a hybrid density functional theory study of the bond dissociation energies and heats of formation for FOOF and FOOCl

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00253-x ◽

1999 ◽

Vol 459 (1-3) ◽

pp. 23-27 ◽

Cited By ~ 14

Author(s):

Branko S. Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Bond Dissociation Energies ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dissociation Energies ◽

High Level ◽

Hybrid Density Functional

Download Full-text

The indirect to direct band gap transition in multilayered MoS2 as predicted by screened hybrid density functional theory

Applied Physics Letters ◽

10.1063/1.3672219 ◽

2011 ◽

Vol 99 (26) ◽

pp. 261908 ◽

Cited By ~ 337

Author(s):

Jason K. Ellis ◽

Melissa J. Lucero ◽

Gustavo E. Scuseria

Keyword(s):

Density Functional Theory ◽

Band Gap ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Direct Band Gap ◽

Direct Band ◽

Hybrid Density Functional

Download Full-text

Band gap engineering of (N, Si)-codoped TiO2from hybrid density functional theory calculations

New Journal of Physics ◽

10.1088/1367-2630/14/5/053007 ◽

2012 ◽

Vol 14 (5) ◽

pp. 053007 ◽

Cited By ~ 23

Author(s):

Run Long ◽

Niall J English

Keyword(s):

Density Functional Theory ◽

Band Gap ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Band Gap Engineering ◽

Hybrid Density Functional

Download Full-text

High level of ab initio and hybrid density functional theory study of electron affinities for some multi-spin diatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00196-1 ◽

1998 ◽

Vol 453 (1-3) ◽

pp. 149-152 ◽

Cited By ~ 13

Author(s):

Branko S Jursic

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Diatomic Molecules ◽

Hybrid Density Functional Theory ◽

Electron Affinities ◽

Density Functional Theory Study ◽

Functional Theory ◽

High Level ◽

Hybrid Density Functional

Download Full-text