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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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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Electron-phonon interactions for optical-phonon modes in few-layer graphene: First-principles calculations

Physical Review B ◽

10.1103/physrevb.79.115443 ◽

2009 ◽

Vol 79 (11) ◽

Author(s):

Jia-An Yan ◽

W. Y. Ruan ◽

M. Y. Chou

Keyword(s):

Optical Phonon ◽

First Principles ◽

First Principles Calculations ◽

Phonon Modes ◽

Layer Graphene ◽

Few Layer Graphene

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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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Alkali metals inside bi-layer graphene and MoS2: Insights from first-principles calculations

Nano Energy ◽

10.1016/j.nanoen.2020.104927 ◽

2020 ◽

Vol 75 ◽

pp. 104927 ◽

Author(s):

Ilya V. Chepkasov ◽

Mahdi Ghorbani-Asl ◽

Zakhar I. Popov ◽

Jurgen H. Smet ◽

Arkady V. Krasheninnikov

Keyword(s):

First Principles ◽

Alkali Metals ◽

First Principles Calculations ◽

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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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Theoretical assessment of Raman spectra on MXene Ti2C: from monolayer to bilayer

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03117a ◽

2021 ◽

Author(s):

Haiming Huang ◽

Weiliang Wang ◽

Shaolin Zhang

Keyword(s):

Raman Spectra ◽

First Principles ◽

First Principles Calculations ◽

Spectra Properties ◽

Theoretical Assessment ◽

The structural, vibrational and Raman spectra properties of monolayer and bilayer Ti2C excited by two commonly used laser lines (532 nm and 633 nm) are investigated by first principles calculations...

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