Electronic and vibrational properties of 
V2C
-based MXenes: From experiments to first-principles modeling

Aurélie Champagne; Lu Shi; Thierry Ouisse; Benoît Hackens; Jean-Christophe Charlier

doi:10.1103/physrevb.97.115439

Electronic and vibrational properties of V2C -based MXenes: From experiments to first-principles modeling

Physical Review B ◽

10.1103/physrevb.97.115439 ◽

2018 ◽

Vol 97 (11) ◽

Cited By ~ 45

Author(s):

Aurélie Champagne ◽

Lu Shi ◽

Thierry Ouisse ◽

Benoît Hackens ◽

Jean-Christophe Charlier

Keyword(s):

First Principles ◽

Vibrational Properties

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Dielectric and vibrational properties of CdTe studied by first-principles and terahertz time-domain spectroscopy

Physica B Condensed Matter ◽

10.1016/j.physb.2020.412543 ◽

2021 ◽

Vol 602 ◽

pp. 412543

Author(s):

Wang Sun ◽

Liangsheng Li ◽

He Cai ◽

Jinchun Li ◽

Hongcheng Yin ◽

...

Keyword(s):

Time Domain ◽

First Principles ◽

Vibrational Properties ◽

Terahertz Time Domain Spectroscopy ◽

Time Domain Spectroscopy

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Physics Letters A ◽

10.1016/j.physleta.2009.05.008 ◽

2009 ◽

Vol 373 (29) ◽

pp. 2494-2500 ◽

Cited By ~ 24

Author(s):

Li Niu ◽

Jia-Qi Zhu ◽

Xiao Han ◽

Man-Lin Tan ◽

Wei Gao ◽

...

Keyword(s):

First Principles ◽

Vibrational Properties ◽

Boron Doped Diamond ◽

First Principles Study ◽

Boron Doped

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First-principles study of elastic and vibrational properties of Ni2MnIn magnetic shape memory alloys

The European Physical Journal B ◽

10.1140/epjb/e2011-10780-3 ◽

2011 ◽

Vol 79 (4) ◽

pp. 509-514 ◽

Cited By ~ 11

Author(s):

S. Ağduk ◽

G. Gökoğlu

Keyword(s):

Shape Memory Alloys ◽

Shape Memory ◽

First Principles ◽

Vibrational Properties ◽

Magnetic Shape Memory ◽

Magnetic Shape Memory Alloys ◽

First Principles Study

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Electronic and Vibrational Properties of Fe2NiAl and Co2NiAl Full Heusler Alloys: A First-Principles Comparison

IEEE Transactions on Magnetics ◽

10.1109/tmag.2022.3142849 ◽

2022 ◽

pp. 1-1

Author(s):

Olga N. Miroshkina ◽

Vladimir V. Sokolovskiy ◽

Vasiliy D. Buchelnikov ◽

Markus E. Gruner

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Vibrational Properties ◽

Full Heusler ◽

Full Heusler Alloys

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Electronic structures and vibrational properties of coronene on Ru(0001): first-principles study

Chinese Physics B ◽

10.1088/1674-1056/21/3/036801 ◽

2012 ◽

Vol 21 (3) ◽

pp. 036801 ◽

Cited By ~ 3

Author(s):

Yu-Yang Zhang ◽

Shi-Xuan Du ◽

Hong-Jun Gao

Keyword(s):

First Principles ◽

Electronic Structures ◽

Vibrational Properties ◽

First Principles Study

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Comment on “First-principles theory of the evolution of vibrational properties with long-range order inGaInP2”

Physical Review B ◽

10.1103/physrevb.63.087201 ◽

2001 ◽

Vol 63 (8) ◽

Cited By ~ 1

Author(s):

F. Alsina ◽

J. Pascual ◽

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Keyword(s):

Long Range ◽

First Principles ◽

Range Order ◽

Vibrational Properties ◽

Long Range Order

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Can two H 2 molecules be inserted into C 60 – an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H 2 @C 60 complex

Chemical Physics Letters ◽

10.1016/j.cplett.2016.09.082 ◽

2016 ◽

Vol 663 ◽

pp. 104-110 ◽

Cited By ~ 2

Author(s):

Grygoriy A. Dolgonos ◽

Gilles H. Peslherbe

Keyword(s):

First Principles ◽

Vibrational Properties

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First-principles study of structural, electronic, ferroelectric, and vibrational properties of BiInO3 under high pressure

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2019.06.009 ◽

2019 ◽

Vol 134 ◽

pp. 225-237

Author(s):

J. Kaczkowski

Keyword(s):

High Pressure ◽

First Principles ◽

Vibrational Properties ◽

First Principles Study

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First-principles study of structural and vibrational properties of SrHfO3 compared to SrZrO3

Computational Condensed Matter ◽

10.1016/j.cocom.2019.e00383 ◽

2019 ◽

Vol 20 ◽

pp. e00383

Author(s):

Safari Amisi

Keyword(s):

First Principles ◽

Vibrational Properties ◽

First Principles Study

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First principles calculations of the vibrational properties of single and dimer F-type centers in corundum crystals

The Journal of Chemical Physics ◽

10.1063/5.0023417 ◽

2020 ◽

Vol 153 (13) ◽

pp. 134107

Author(s):

Alexander Platonenko ◽

Denis Gryaznov ◽

Anatoly I. Popov ◽

Roberto Dovesi ◽

Eugene A. Kotomin

Keyword(s):

First Principles ◽

Vibrational Properties ◽

First Principles Calculations

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