First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO

Hou Qing-Yu;  Dong Hong-Ying;  Ying Chun;  Ma Wen

doi:10.7498/aps.62.037101

First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO

Acta Physica Sinica ◽

10.7498/aps.62.037101 ◽

2013 ◽

Vol 62 (3) ◽

pp. 037101

Author(s):

Hou Qing-Yu ◽

Dong Hong-Ying ◽

Ying Chun ◽

Ma Wen

Keyword(s):

Absorption Spectrum ◽

Band Gap ◽

First Principles ◽

First Principles Study ◽

Mn Doped

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First-principles study on the effects of high Al doped on the band gap and absorption spectrum of ZnO

Acta Physica Sinica ◽

10.7498/aps.61.167102 ◽

2012 ◽

Vol 61 (16) ◽

pp. 167102

Author(s):

Hou Qing-Yu ◽

Dong Hong-Ying ◽

Ying Chun ◽

Ma Wen

Keyword(s):

Absorption Spectrum ◽

Band Gap ◽

First Principles ◽

First Principles Study

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First principles study of the effect of high V doping on the optical band gap and absorption spectrum of ZnO

Acta Physica Sinica ◽

10.7498/aps.63.107101 ◽

2014 ◽

Vol 63 (10) ◽

pp. 107101

Author(s):

Guo Shao-Qiang ◽

Hou Qing-Yu ◽

Zhao Chun-Wang ◽

Mao Fei

Keyword(s):

Absorption Spectrum ◽

Band Gap ◽

First Principles ◽

Optical Band Gap ◽

First Principles Study

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Tunability of Structure, Polarization, and Band Gap of High TC Organic–Inorganic Ferroelectrics by Hydrostatic Pressure: First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03980 ◽

2021 ◽

Author(s):

P. S. Ghosh ◽

J. Doherty ◽

S. Lisenkov ◽

I. Ponomareva

Keyword(s):

Hydrostatic Pressure ◽

Band Gap ◽

First Principles ◽

High Tc ◽

First Principles Study

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First-principles study on the electronic structure and optical properties of Mn-doped NaNbO3

2015 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications (SPAWDA) ◽

10.1109/spawda.2015.7364445 ◽

2015 ◽

Author(s):

Shu-lan Zhou ◽

Xiao-dong Han ◽

Xian Zhao ◽

Xiang-ping Jiang

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Study ◽

Mn Doped

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Band-gap formation in(n,0)single-walled carbon nanotubes(n=9,12,15,18): A first-principles study

Physical Review B ◽

10.1103/physrevb.72.073404 ◽

2005 ◽

Vol 72 (7) ◽

Cited By ~ 43

Author(s):

Takashi Miyake ◽

Susumu Saito

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

First Principles ◽

Single Walled Carbon Nanotubes ◽

Gap Formation ◽

Single Walled Carbon ◽

First Principles Study ◽

Walled Carbon Nanotubes

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Corrigendum to “Hybridization versus sublattice symmetry breaking in the band gap opening in graphene on Ni(111): A first-principles study” [Surface Science 700 (2020) 121651]

Surface Science ◽

10.1016/j.susc.2020.121719 ◽

2020 ◽

Vol 702 ◽

pp. 121719

Author(s):

Kazume Nishidate ◽

Satoru Tanibayashi ◽

Michiaki Matsukawa ◽

Masayuki Hasegawa

Keyword(s):

Symmetry Breaking ◽

Band Gap ◽

Surface Science ◽

First Principles ◽

First Principles Study ◽

Gap Opening

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Transition from indirect to direct band gap in SiC monolayer by chemical functionalization: A first principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2019.106320 ◽

2020 ◽

Vol 137 ◽

pp. 106320 ◽

Cited By ~ 6

Author(s):

D.M. Hoat ◽

Mosayeb Naseri ◽

Nguyen N. Hieu ◽

R. Ponce-Pérez ◽

J.F. Rivas-Silva ◽

...

Keyword(s):

Band Gap ◽

First Principles ◽

Chemical Functionalization ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band

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Band gap engineering of FeS2 under biaxial strain: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03453h ◽

2014 ◽

Vol 16 (44) ◽

pp. 24466-24472 ◽

Cited By ~ 25

Author(s):

Pin Xiao ◽

Xiao-Li Fan ◽

Li-Min Liu ◽

Woon-Ming Lau

Keyword(s):

Band Gap ◽

First Principles ◽

Tensile Strain ◽

Biaxial Strain ◽

Band Gap Engineering ◽

First Principles Study ◽

Maximum Value

The band gap increases with increasing tensile strain to its maximum value at 6% strain and then decreases.

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Structural defects in pristine and Mn-doped monolayer WS2: A first-principles study

Superlattices and Microstructures ◽

10.1016/j.spmi.2015.06.007 ◽

2015 ◽

Vol 85 ◽

pp. 339-347 ◽

Cited By ~ 16

Author(s):

Xu Zhao ◽

Xianqi Dai ◽

Congxin Xia ◽

Tianxing Wang

Keyword(s):

First Principles ◽

Structural Defects ◽

First Principles Study ◽

Mn Doped

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Direct band gap narrowing and light-harvesting-potential in orthorhombic In-doped-AlFeO3 perovskite: A first principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2018.03.388 ◽

2018 ◽

Vol 750 ◽

pp. 312-319 ◽

Cited By ~ 7

Author(s):

G. Sudha Priyanga ◽

Tiju Thomas

Keyword(s):

Band Gap ◽

First Principles ◽

Light Harvesting ◽

Direct Band Gap ◽

First Principles Study ◽

Direct Band ◽

Band Gap Narrowing

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