Phenomenological model for Raman spectra calculating based on “bond charge” taking into account deformation and electro-optical mechanisms, including Fröhlich scattering

Standard

Phenomenological model for Raman spectra calculating based on “bond charge” taking into account deformation and electro-optical mechanisms, including Fröhlich scattering. / Sachkov, Victor A.; Volodin, Vladimir A.

в: Journal of Raman Spectroscopy, Том 54, № 12, 2023, стр. 1465-1472.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{2df0b3b0509040efa67d4d246f2d834a,

title = "Phenomenological model for Raman spectra calculating based on “bond charge” taking into account deformation and electro-optical mechanisms, including Fr{\"o}hlich scattering",

abstract = "An approach is proposed that combines the deformation and electro-optical mechanisms of Raman scattering, including Fr{\"o}hlich scattering. Eigenwavenumbers and eigenvectors of phonon modes with a given wave vector are calculated in the “bond charge” model. The Raman spectra were calculated using the Wolkenstein additive polarizability model. The proposed approach has been tested for modeling the Raman spectra of short-period GaAs/AlAs superlattices containing tens of atoms in a primitive cell, but can also be used to calculate the Raman spectra of various nanoobjects containing thousands of atoms in a primitive cell.",

keywords = "Fr{\"o}hlich scattering, adiabatic “bond charge” model, bond polarizability",

author = "Sachkov, {Victor A.} and Volodin, {Vladimir A.}",

note = "We are grateful to the Center for Collective Use “VTAN” NSU for providing equipment for Raman spectroscopy. The study of V. A. V. (Raman experiments) was supported by the Ministry of Science and Higher Education of the Russian Federation, project No. 075‐15‐2020‐797 (13.1902.21.0024). The study of V. A. S (calculations) was conducted under governmental order for Omsk Scientific Center SB RAS (project registration number 121021600004‐7).",

year = "2023",

doi = "10.1002/jrs.6595",

language = "English",

volume = "54",

pages = "1465--1472",

journal = "Journal of Raman Spectroscopy",

issn = "0377-0486",

publisher = "John Wiley and Sons Ltd",

number = "12",

}

RIS

TY - JOUR

T1 - Phenomenological model for Raman spectra calculating based on “bond charge” taking into account deformation and electro-optical mechanisms, including Fröhlich scattering

AU - Sachkov, Victor A.

AU - Volodin, Vladimir A.

N1 - We are grateful to the Center for Collective Use “VTAN” NSU for providing equipment for Raman spectroscopy. The study of V. A. V. (Raman experiments) was supported by the Ministry of Science and Higher Education of the Russian Federation, project No. 075‐15‐2020‐797 (13.1902.21.0024). The study of V. A. S (calculations) was conducted under governmental order for Omsk Scientific Center SB RAS (project registration number 121021600004‐7).

PY - 2023

Y1 - 2023

N2 - An approach is proposed that combines the deformation and electro-optical mechanisms of Raman scattering, including Fröhlich scattering. Eigenwavenumbers and eigenvectors of phonon modes with a given wave vector are calculated in the “bond charge” model. The Raman spectra were calculated using the Wolkenstein additive polarizability model. The proposed approach has been tested for modeling the Raman spectra of short-period GaAs/AlAs superlattices containing tens of atoms in a primitive cell, but can also be used to calculate the Raman spectra of various nanoobjects containing thousands of atoms in a primitive cell.

AB - An approach is proposed that combines the deformation and electro-optical mechanisms of Raman scattering, including Fröhlich scattering. Eigenwavenumbers and eigenvectors of phonon modes with a given wave vector are calculated in the “bond charge” model. The Raman spectra were calculated using the Wolkenstein additive polarizability model. The proposed approach has been tested for modeling the Raman spectra of short-period GaAs/AlAs superlattices containing tens of atoms in a primitive cell, but can also be used to calculate the Raman spectra of various nanoobjects containing thousands of atoms in a primitive cell.

KW - Fröhlich scattering

KW - adiabatic “bond charge” model

KW - bond polarizability

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85171283244&origin=inward&txGid=c985441bb12c35f213fcb8c27d79d11c

UR - https://www.mendeley.com/catalogue/466491ab-46ab-3fd3-8240-58925a4c1098/

U2 - 10.1002/jrs.6595

DO - 10.1002/jrs.6595

M3 - Article

VL - 54

SP - 1465

EP - 1472

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

SN - 0377-0486

IS - 12

ER -

ID: 55447032