Vibrational spectra and first principles calculation of BaBPO5 crystal

Zhang Ji;  Wang Di;  Zhang De-Ming;  Zhang Qing-Li;  Wan Song-Ming;  Sun Dun-Lu;  Yin Shao-Tang

doi:10.7498/aps.62.037802

Vibrational spectra and first principles calculation of BaBPO5 crystal

Acta Physica Sinica ◽

10.7498/aps.62.037802 ◽

2013 ◽

Vol 62 (3) ◽

pp. 037802

Author(s):

Zhang Ji ◽

Wang Di ◽

Zhang De-Ming ◽

Zhang Qing-Li ◽

Wan Song-Ming ◽

...

Keyword(s):

Vibrational Spectra ◽

First Principles ◽

First Principles Calculation

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First-principles calculation of geometry and anharmonic vibrational spectra of thioformamide and thioformamide-d2

The Journal of Chemical Physics ◽

10.1063/1.2139995 ◽

2006 ◽

Vol 124 (1) ◽

pp. 014304 ◽

Cited By ~ 8

Author(s):

Andrzej T. Kowal

Keyword(s):

Vibrational Spectra ◽

First Principles ◽

First Principles Calculation

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Assignment for Vibrational Spectra of BaTiO3 Ferroelectric Ceramic Based on the First-Principles Calculation

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201504144 ◽

2015 ◽

Vol 31 (6) ◽

pp. 1059-1068 ◽

Cited By ~ 8

Author(s):

AN Wei ◽

◽

LIU Tian-Hui ◽

WANG Chun-Hai ◽

DIAO Chuan-Ling ◽

...

Keyword(s):

Vibrational Spectra ◽

First Principles ◽

Ferroelectric Ceramic ◽

First Principles Calculation

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First-principles calculation of nuclear resonance vibrational spectra

Hyperfine Interactions ◽

10.1007/s10751-008-9600-5 ◽

2007 ◽

Vol 175 (1-3) ◽

pp. 165-174 ◽

Cited By ~ 28

Author(s):

Taras Petrenko ◽

Wolfgang Sturhahn ◽

Frank Neese

Keyword(s):

Vibrational Spectra ◽

First Principles ◽

First Principles Calculation ◽

Nuclear Resonance

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FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816181 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-625-C6-627 ◽

Cited By ~ 2

Author(s):

P. E. Van Camp ◽

V. E. Van Doren ◽

J. T. Devreese

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Phonon Spectra

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First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

SSRN Electronic Journal ◽

10.2139/ssrn.3581344 ◽

2020 ◽

Author(s):

Huibin Ke ◽

Tianshu Li ◽

Pin Lu ◽

Gerald S. Frankel ◽

Christopher D. Taylor

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Corrosion Resistant ◽

Susceptibility Index

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A FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC MOMENT AND ELECTRONIC STRUCTURE FOR SELECTED HALF-HEUSLER ALLOYS

Modern Trends in Physics Research ◽

10.1142/9789814317511_0005 ◽

2011 ◽

Author(s):

SAMY H. ALY ◽

RIHAM SHAPARA ◽

SHERIF YEHIA

Keyword(s):

Electronic Structure ◽

Magnetic Moment ◽

First Principles ◽

Heusler Alloys ◽

First Principles Calculation

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First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds

Advances in Materials and Processing Technologies ◽

10.1080/2374068x.2021.1939991 ◽

2021 ◽

pp. 1-13

Author(s):

Mohamed Al-Hattab ◽

L’Houcine Moudou ◽

younes Chrafih ◽

Khalid Rahmani ◽

Mohammed Khenfouch ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Optical Properties

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First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

Journal of Molecular Modeling ◽

10.1007/s00894-021-04803-3 ◽

2021 ◽

Vol 27 (6) ◽

Author(s):

Wen-Guang Li ◽

Yun-Dan Gan ◽

Zhi-Xin Bai ◽

Ming-Jian Zhang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculation

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First principles calculation of resistive random access memory based on multi-layer 2H phase molybdenum disulfide resistive layer

2021 4th International Conference on Electron Device and Mechanical Engineering (ICEDME) ◽

10.1109/icedme52809.2021.00013 ◽

2021 ◽

Author(s):

Renjie Ding ◽

Yuehua Dai ◽

Jianhua Gao ◽

Lihua Huang ◽

Peng Wang

Keyword(s):

Molybdenum Disulfide ◽

First Principles ◽

Random Access ◽

Random Access Memory ◽

Resistive Random Access Memory ◽

First Principles Calculation ◽

Access Memory ◽

Resistive Layer

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Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors.

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2020.152692 ◽

2021 ◽

Vol 544 ◽

pp. 152692

Author(s):

Paul Lafaye ◽

Caroline Toffolon-Masclet ◽

Jean-Claude Crivello ◽

Jean-Marc Joubert

Keyword(s):

Experimental Study ◽

First Principles ◽

Nuclear Reactors ◽

Thermodynamic Modelling ◽

First Principles Calculation ◽

Quinary System

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