First-principle calculations to investigate structural, electronic and optical properties of MgHfS3

Materials Science and Engineering B ◽

10.1016/j.mseb.2021.115405 ◽

2021 ◽

Vol 273 ◽

pp. 115405

Author(s):

Rilwan O. Balogun ◽

Muteeu A. Olopade ◽

Olusola O. Oyebola ◽

Adeyinka D. Adewoyin

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Analysis of Electronic and Optical Properties of Pristine LiNbO3 Using First-Principle Calculations

2020 International Conference on Electrical and Electronics Engineering (ICE3) ◽

10.1109/ice348803.2020.9122943 ◽

2020 ◽

Author(s):

Ashish Raturi ◽

Poornima Mittal

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Pressure induced electronic and optical properties of rutile SnO2 by first principle calculations

Superlattices and Microstructures ◽

10.1016/j.spmi.2015.12.021 ◽

2016 ◽

Vol 90 ◽

pp. 236-241 ◽

Author(s):

Khush Bakht ◽

Tariq Mahmood ◽

Maqsood Ahmed ◽

Kamran Abid

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Structural identification, electronic and optical properties of ZnSnO3: First principle calculations

Computational Materials Science ◽

10.1016/j.commatsci.2010.05.049 ◽

2010 ◽

Vol 49 (3) ◽

pp. 552-555 ◽

Author(s):

Huiyang Gou ◽

Faming Gao ◽

Jingwu Zhang

Keyword(s):

Optical Properties ◽

Structural Identification ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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FIRST PRINCIPLE CALCULATIONS OF THE ELECTRONIC AND OPTICAL PROPERTIES OF 2-, 1-, AND 0- DIMENSIONAL CONFINED Si STRUCTURES

Physics, Chemistry and Application of Nanostructures ◽

10.1142/9789812817990_0001 ◽

1999 ◽

Author(s):

S. OSSICINI ◽

E. DEGOLI ◽

D. BARBATO ◽

M. LUPPI ◽

E. PETTENATI

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Pressure induced structural, electronic and optical properties of wurtzite beryllium monoxide (w-BeO) from first-principle calculations

Solid State Communications ◽

10.1016/j.ssc.2021.114571 ◽

2021 ◽

pp. 114571

Author(s):

Bimal Debnath ◽

Manish Debbarma ◽

Debankita Ghosh ◽

Sayantika Chanda ◽

Subhendu Das ◽

...

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations ◽

Beryllium Monoxide

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Investigation of Electronic and Optical Properties of γ - and -Alumina by First Principle Calculations

Advanced Science Letters ◽

10.1166/asl.2018.11439 ◽

2018 ◽

Vol 24 (5) ◽

pp. 3579-3581 ◽

Author(s):

Ahmed S Jbara ◽

Zulkafli Othaman ◽

H. A. Rahnamaye Aliabad ◽

M. A Saeed

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Studies of the electronic and optical properties of BaMxO1−x (M=S, Se, Te) using first-principle calculations

Optics Communications ◽

10.1016/j.optcom.2008.09.077 ◽

2009 ◽

Vol 282 (1) ◽

pp. 48-52 ◽

Author(s):

Wen Gu ◽

Song-You Wang ◽

Ming Xu ◽

Yue-Rui Chen ◽

Liang-Yao Chen ◽

...

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Theoretical and experimental study on the electronic and optical properties of K0.5Rb0.5Pb2Br5: a promising laser host material

RSC Advances ◽

10.1039/d0ra00718h ◽

2020 ◽

Vol 10 (19) ◽

pp. 11156-11164 ◽

Author(s):

Tuan V. Vu ◽

A. A. Lavrentyev ◽

B. V. Gabrelian ◽

Dat D. Vo ◽

Hien D. Tong ◽

...

Keyword(s):

Experimental Study ◽

Optical Properties ◽

Electronic Structure ◽

Host Material ◽

First Principle ◽

X Ray ◽

Electronic And Optical Properties ◽

First Principle Calculations

The data on the electronic structure and optical properties of bromide K0.5Rb0.5Pb2Br5 achieved by first-principle calculations and verified by X-ray spectroscopy measurements are reported.

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The structural, electronic and optical properties of CuGa (SexS1-x)2 compounds from first-principle calculations

The European Physical Journal B ◽

10.1140/epjb/e2013-40736-4 ◽

2013 ◽

Vol 86 (11) ◽

Author(s):

Ke-Sheng Shen ◽

Zhao-Yong Jiao ◽

Xian-Zhou Zhang ◽

Xiao-Fen Huang

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

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Electronic and optical properties of silicene nanomeshes

RSC Advances ◽

10.1039/c4ra03942d ◽

2014 ◽

Vol 4 (72) ◽

pp. 37998-38003 ◽

Author(s):

Xue-Sheng Ye ◽

Zhi-Gang Shao ◽

Hongbo Zhao ◽

Lei Yang ◽

Cang-Long Wang

Keyword(s):

Optical Properties ◽

First Principle ◽

Electronic And Optical Properties ◽

First Principle Calculations

We have investigated the electronic and optical properties of silicene nanomeshes (SNMs) using first-principle calculations.

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