DFT analysis of crystal polarity on graphene surface

Standard

DFT analysis of crystal polarity on graphene surface. / Pavlov, Alexander; Mozharov, Alexey ; Berdnikov, Yury; Barbier, Camille; Harmand, Jean Christophe; Tchernycheva, Maria; Polozkov, Roman; Mukhin, Ivan.

In: Journal of Physics: Conference Series, Vol. 2015, No. 1, 012105, 17.11.2021.

Research output: Contribution to journal › Conference article › peer-review

Harvard

Pavlov, A, Mozharov, A , Berdnikov, Y, Barbier, C, Harmand, JC, Tchernycheva, M, Polozkov, R & Mukhin, I 2021, 'DFT analysis of crystal polarity on graphene surface', Journal of Physics: Conference Series, vol. 2015, no. 1, 012105. https://doi.org/10.1088/1742-6596/2015/1/012105

APA

Pavlov, A., Mozharov, A., Berdnikov, Y., Barbier, C., Harmand, J. C., Tchernycheva, M., Polozkov, R., & Mukhin, I. (2021). DFT analysis of crystal polarity on graphene surface. Journal of Physics: Conference Series, 2015(1), [012105]. https://doi.org/10.1088/1742-6596/2015/1/012105

Vancouver

Pavlov A, Mozharov A , Berdnikov Y, Barbier C, Harmand JC, Tchernycheva M et al. DFT analysis of crystal polarity on graphene surface. Journal of Physics: Conference Series. 2021 Nov 17;2015(1). 012105. https://doi.org/10.1088/1742-6596/2015/1/012105

Author

Pavlov, Alexander ; Mozharov, Alexey ; Berdnikov, Yury ; Barbier, Camille ; Harmand, Jean Christophe ; Tchernycheva, Maria ; Polozkov, Roman ; Mukhin, Ivan. / DFT analysis of crystal polarity on graphene surface. In: Journal of Physics: Conference Series. 2021 ; Vol. 2015, No. 1.

BibTeX

@article{e34ff4ab03d344f8b197bbb16ac3fb06,

title = "DFT analysis of crystal polarity on graphene surface",

abstract = "We report an ab-initio study of the preferred polarity for wurtzite GaN nanostructures on virtual graphene substrates. By means of the density functional theory analysis we show that N-polar nanostructures on graphene are energetically favorable in comparison to Ga-polar. These finding are in agreement with experimentally observed N-polarity of wurtzite GaN nanowires grown on graphene substrate. We believe that the revealed polarity preference is of importance for piezoelectric and optoelectronic device design.",

author = "Alexander Pavlov and Alexey Mozharov and Yury Berdnikov and Camille Barbier and Harmand, {Jean Christophe} and Maria Tchernycheva and Roman Polozkov and Ivan Mukhin",

note = "Publisher Copyright: {\textcopyright} 2021 Institute of Physics Publishing. All rights reserved.; 6th International Conference on Metamaterials and Nanophotonics, METANANO 2021 ; Conference date: 13-09-2021 Through 17-09-2021",

year = "2021",

month = nov,

day = "17",

doi = "10.1088/1742-6596/2015/1/012105",

language = "English",

volume = "2015",

journal = "Journal of Physics: Conference Series",

issn = "1742-6588",

publisher = "IOP Publishing Ltd.",

number = "1",

}

RIS

TY - JOUR

T1 - DFT analysis of crystal polarity on graphene surface

AU - Pavlov, Alexander

AU - Mozharov, Alexey

AU - Berdnikov, Yury

AU - Barbier, Camille

AU - Harmand, Jean Christophe

AU - Tchernycheva, Maria

AU - Polozkov, Roman

AU - Mukhin, Ivan

PY - 2021/11/17

Y1 - 2021/11/17

N2 - We report an ab-initio study of the preferred polarity for wurtzite GaN nanostructures on virtual graphene substrates. By means of the density functional theory analysis we show that N-polar nanostructures on graphene are energetically favorable in comparison to Ga-polar. These finding are in agreement with experimentally observed N-polarity of wurtzite GaN nanowires grown on graphene substrate. We believe that the revealed polarity preference is of importance for piezoelectric and optoelectronic device design.

AB - We report an ab-initio study of the preferred polarity for wurtzite GaN nanostructures on virtual graphene substrates. By means of the density functional theory analysis we show that N-polar nanostructures on graphene are energetically favorable in comparison to Ga-polar. These finding are in agreement with experimentally observed N-polarity of wurtzite GaN nanowires grown on graphene substrate. We believe that the revealed polarity preference is of importance for piezoelectric and optoelectronic device design.

UR - http://www.scopus.com/inward/record.url?scp=85120870762&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/2015/1/012105

DO - 10.1088/1742-6596/2015/1/012105

M3 - Conference article

AN - SCOPUS:85120870762

VL - 2015

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012105

T2 - 6th International Conference on Metamaterials and Nanophotonics, METANANO 2021

Y2 - 13 September 2021 through 17 September 2021

ER -

ID: 88773377