First-principles study of vibrational modes and Raman spectra in P-doped Si nanocrystals

Physical Review B ◽

10.1103/physrevb.89.195309 ◽

2014 ◽

Vol 89 (19) ◽

Author(s):

K. H. Khoo ◽

James R. Chelikowsky

Keyword(s):

Raman Spectra ◽

First Principles ◽

Vibrational Modes ◽

First Principles Study ◽

Si Nanocrystals

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First-Principles Study of Confinement Effects on the Raman Spectra of Si Nanocrystals

Physical Review Letters ◽

10.1103/physrevlett.105.115504 ◽

2010 ◽

Vol 105 (11) ◽

Author(s):

K. H. Khoo ◽

A. T. Zayak ◽

H. Kwak ◽

James R. Chelikowsky

Keyword(s):

Raman Spectra ◽

First Principles ◽

Confinement Effects ◽

First Principles Study ◽

Si Nanocrystals

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Temperature dependence of Raman spectra and first principles study of NiMn2O4 magnetic spinel oxide thin films. Application in efficient photocatalytic removal of RhB and MB dyes

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2019.03.022 ◽

2019 ◽

Vol 216 ◽

pp. 117-124 ◽

Author(s):

T. Larbi ◽

K. Doll ◽

M. Amlouk

Keyword(s):

Temperature Dependence ◽

Raman Spectra ◽

First Principles ◽

Spinel Oxide ◽

Oxide Thin Films ◽

First Principles Study ◽

Photocatalytic Removal

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First-principles study on the local vibrational modes of nitrogen–oxygen defects in silicon

Physica B Condensed Matter ◽

10.1016/j.physb.2007.08.136 ◽

2007 ◽

Vol 401-402 ◽

pp. 159-162 ◽

Author(s):

N. Fujita ◽

R. Jones ◽

S. Öberg ◽

P.R. Briddon

Keyword(s):

First Principles ◽

Vibrational Modes ◽

First Principles Study ◽

Oxygen Defects ◽

Local Vibrational Modes

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Raman spectra of hydrocarbons under extreme conditions of pressure and temperature: a first-principles study

Journal of Physics D Applied Physics ◽

10.1088/1361-6463/ac2d65 ◽

2021 ◽

Author(s):

Rui Hou ◽

Ding Pan

Keyword(s):

Raman Spectra ◽

First Principles ◽

Extreme Conditions ◽

First Principles Study

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FIRST-PRINCIPLES STUDY OF INFRARED AND RAMAN SPECTRA OF INTERMEDIATES IN ETHANOL CONVERSION TO ETHYL ACETATE AND HYDROGEN

Proceedings of the 74th International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2019.mk07 ◽

2019 ◽

Author(s):

Ruitao Wu ◽

Lichang Wang

Keyword(s):

Ethyl Acetate ◽

Raman Spectra ◽

First Principles ◽

Ethanol Conversion ◽

Infrared And Raman Spectra ◽

First Principles Study

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First-principles study of the effect of pressure on the five zirconia polymorphs. II. Static dielectric properties and Raman spectra

Physical Review B ◽

10.1103/physrevb.82.064106 ◽

2010 ◽

Vol 82 (6) ◽

Author(s):

Giuseppe Fadda ◽

Giovanni Zanzotto ◽

Luciano Colombo

Keyword(s):

Dielectric Properties ◽

Raman Spectra ◽

First Principles ◽

Effect Of Pressure ◽

First Principles Study

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First-principles study of vibrational modes in icosahedralC60

Physical Review B ◽

10.1103/physrevb.48.1884 ◽

1993 ◽

Vol 48 (3) ◽

pp. 1884-1887 ◽

Author(s):

X. Q. Wang ◽

C. Z. Wang ◽

K. M. Ho

Keyword(s):

First Principles ◽

Vibrational Modes ◽

First Principles Study

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A first-principles study of vibrational modes in Cu2O and Ag2O crystals

Solid State Communications ◽

10.1016/j.ssc.2011.07.006 ◽

2011 ◽

Vol 151 (20) ◽

pp. 1452-1454 ◽

Author(s):

Andrea Sanson

Keyword(s):

First Principles ◽

Vibrational Modes ◽

First Principles Study

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First principles study of three-dimensional polymers ofC60: Structure, electronic properties, and Raman spectra

Physical Review B ◽

10.1103/physrevb.77.115432 ◽

2008 ◽

Vol 77 (11) ◽

Author(s):

F. Zipoli ◽

M. Bernasconi

Keyword(s):

Electronic Properties ◽

Raman Spectra ◽

First Principles ◽

Three Dimensional ◽

First Principles Study

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Infrared activity of vibrational modes in compressed molecular hydrogen: a first-principles study using the geometric phase approach

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/10/49/049 ◽

1998 ◽

Vol 10 (49) ◽

pp. 11581-11584

Author(s):

Kazutaka Nagao ◽

Hitose Nagara

Keyword(s):

First Principles ◽

Geometric Phase ◽

Molecular Hydrogen ◽

Vibrational Modes ◽

Phase Approach ◽

First Principles Study

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