Infrared and Raman spectra of Bi2O2X and Bi2OX2 (X = S, Se, and Te) studied from first principles calculations

RSC Advances ◽

10.1039/c9ra02584g ◽

2019 ◽

Vol 9 (31) ◽

pp. 18042-18049 ◽

Author(s):

Yao-Di Xu ◽

Cong Wang ◽

Yang-Yang Lv ◽

Y. B. Chen ◽

Shu-Hua Yao ◽

...

Keyword(s):

Crystal Structures ◽

Raman Spectra ◽

First Principles ◽

Infrared And Raman Spectra ◽

First Principles Calculations

Crystal structures of bismuth oxychalcogenide compounds Bi2O2X and Bi2OX2 (X = S, Se, and Te).

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Infrared and Raman spectra of ABC-stacked few-layer graphene studied by first-principles calculations

Physical Review B ◽

10.1103/physrevb.84.245433 ◽

2011 ◽

Vol 84 (24) ◽

Author(s):

Yuehua Xu ◽

Xiaowei Li ◽

San-Huang Ke

Keyword(s):

Raman Spectra ◽

First Principles ◽

Infrared And Raman Spectra ◽

First Principles Calculations ◽

Layer Graphene ◽

Few Layer Graphene

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Infrared and Raman spectra ofβ−BC2Nfrom first principles calculations

Physical Review B ◽

10.1103/physrevb.74.193101 ◽

2006 ◽

Vol 74 (19) ◽

Author(s):

Jian Sun ◽

Xiang-Feng Zhou ◽

Jing Chen ◽

Ya-Xian Fan ◽

Hui-Tian Wang ◽

...

Keyword(s):

Raman Spectra ◽

First Principles ◽

Infrared And Raman Spectra ◽

First Principles Calculations

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Structural, optoelectronic, infrared and Raman spectra from first principles calculations of γ-Cd(OH)2

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2014.08.003 ◽

2015 ◽

Vol 76 ◽

pp. 45-50 ◽

Author(s):

J.M. Henriques ◽

C.A. Barboza ◽

E.L. Albuquerque ◽

U.L. Fulco ◽

E. Moreira

Keyword(s):

Raman Spectra ◽

First Principles ◽

Infrared And Raman Spectra ◽

First Principles Calculations

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Effects of structure distortion on optical phonon properties of crystalline beta-BaTeMo2O9—A novel nonlinear optical material: Infrared and Raman spectra as well as first-principles calculations

Journal of Applied Physics ◽

10.1063/1.4844555 ◽

2013 ◽

Vol 114 (23) ◽

pp. 233505 ◽

Author(s):

S. T. Zhou ◽

Y. Huang ◽

W. Y. Qiu ◽

Y. L. Li ◽

S. M. He ◽

...

Keyword(s):

Raman Spectra ◽

Optical Phonon ◽

First Principles ◽

Nonlinear Optical ◽

Optical Material ◽

Infrared And Raman Spectra ◽

First Principles Calculations ◽

Nonlinear Optical Material ◽

Phonon Properties

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Fluctuating ionic polarizabilities in the condensed phase: first-principles calculations of the Raman spectra of ionic melts

Molecular Physics ◽

10.1080/00268970802029497 ◽

2008 ◽

Vol 106 (12) ◽

pp. 1703-1719 ◽

Author(s):

Robert Heaton ◽

Paul Madden

Keyword(s):

Raman Spectra ◽

Condensed Phase ◽

First Principles ◽

First Principles Calculations ◽

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First-principles calculations of phonons and Raman spectra in monoclinicCsSnCl3

Physical Review B ◽

10.1103/physrevb.91.075206 ◽

2015 ◽

Vol 91 (7) ◽

Author(s):

Ling-yi Huang ◽

Walter R. L. Lambrecht

Keyword(s):

Raman Spectra ◽

First Principles ◽

First Principles Calculations

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New Insights into the Crystal Structures of Plutonium Hydrides from First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b11464 ◽

2018 ◽

Vol 122 (18) ◽

pp. 10103-10112 ◽

Author(s):

Shichang Li ◽

Bingyun Ao ◽

Xiaoqiu Ye ◽

Ruizhi Qiu ◽

Tao Gao

Keyword(s):

Crystal Structures ◽

First Principles ◽

First Principles Calculations

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Prediction of stable Cu-Li binary intermetallics from first-principles calculations: Stoichiometries, crystal structures, and physical properties

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2018.07.020 ◽

2018 ◽

Vol 766 ◽

pp. 640-648 ◽

Author(s):

Jiahui Yu ◽

Dawei Zhou ◽

Chunying Pu ◽

Xin Tang ◽

Feiwu Zhang

Keyword(s):

Physical Properties ◽

Crystal Structures ◽

First Principles ◽

First Principles Calculations

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Discovery of zirconium dioxides for the design of better oxygen-ion conductors using efficient algorithms beyond data mining

RSC Advances ◽

10.1039/c8ra02958j ◽

2018 ◽

Vol 8 (45) ◽

pp. 25534-25545 ◽

Author(s):

Joohwi Lee ◽

Nobuko Ohba ◽

Ryoji Asahi

Keyword(s):

Data Mining ◽

Regression Analysis ◽

Evolutionary Algorithms ◽

Crystal Structures ◽

First Principles ◽

Efficient Algorithms ◽

First Principles Calculations ◽

Oxygen Ion Conductivity ◽

Oxygen Ion Conductors

Search for crystal structures of ZrO2 with higher oxygen-ion conductivity by evolutionary algorithms, first-principles calculations, and regression analysis.

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Effects of differential stress on the structure and Raman spectra of calcite from first-principles calculations

American Mineralogist ◽

10.2138/am-2016-5558 ◽

2016 ◽

Vol 101 (8) ◽

pp. 1892-1897 ◽

Author(s):

Lei Liu ◽

Chaojia Lv ◽

Chunqiang Zhuang ◽

Li Yi ◽

Hong Liu ◽

...

Keyword(s):

Raman Spectra ◽

First Principles ◽

First Principles Calculations ◽

Differential Stress

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