Zone-center phonons and elastic properties of ternary chalcopyrite ABSe                         2                          (A = Cu and Ag; B = al, Ga and In)

A. K. Kushwaha; C. G. Ma; M. G. Brik; S. Bin Omran; R. Khenata

doi:10.1016/j.matchemphys.2019.02.024

Zone-center phonons and elastic properties of ternary chalcopyrite ABSe ₂ (A = Cu and Ag; B = al, Ga and In)

A. K. Kushwaha^*
, C. G. Ma
, M. G. Brik
, S. Bin Omran
, R. Khenata

^*Corresponding author for this work

K.N. Govt. P.G. College
Chongqing University of Posts and Telecommunications
University of Verona
University of Tartu
Jan Dlugosz University in Czestochowa
King Saud University
University of Mascara

Research output: Contribution to journal › Article › peer-review

20 Citations (Scopus)

Abstract

The zone-center phonon frequencies and the elastic properties of six ternary chalcopyrite compounds represented by ABSe ₂ (A = Cu and Ag; B = Al, Ga and In) are systematically calculated by using the rigid ion model. In the present paper, we calculate four bond-stretching and three bond-bending interactions, along with three effective dynamical charges. The calculated results are compared and found to be in fairly good agreement with the available experimental and theoretical results. The elastic anisotropy of the studied compounds is analyzed and visualized by plotting three-dimensional surfaces representing the directional dependences of Young's modulus.

Original language	English
Pages (from-to)	324-331
Number of pages	8
Journal	Materials Chemistry and Physics
Volume	227
DOIs	https://doi.org/10.1016/j.matchemphys.2019.02.024
Publication status	Published - 1 Apr 2019
Externally published	Yes

Keywords

62.20.de
63.20-e
63.20.D-
63.20.dk
Compressibility
Elastic constants
Ternary chalcopyrite

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10.1016/j.matchemphys.2019.02.024

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Kushwaha, A. K., Ma, C. G., Brik, M. G., Omran, S. B., & Khenata, R. (2019). Zone-center phonons and elastic properties of ternary chalcopyrite ABSe ₂ (A = Cu and Ag; B = al, Ga and In) Materials Chemistry and Physics, 227, 324-331. https://doi.org/10.1016/j.matchemphys.2019.02.024

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title = " Zone-center phonons and elastic properties of ternary chalcopyrite ABSe 2 (A = Cu and Ag; B = al, Ga and In) ",

abstract = " The zone-center phonon frequencies and the elastic properties of six ternary chalcopyrite compounds represented by ABSe 2 (A = Cu and Ag; B = Al, Ga and In) are systematically calculated by using the rigid ion model. In the present paper, we calculate four bond-stretching and three bond-bending interactions, along with three effective dynamical charges. The calculated results are compared and found to be in fairly good agreement with the available experimental and theoretical results. The elastic anisotropy of the studied compounds is analyzed and visualized by plotting three-dimensional surfaces representing the directional dependences of Young's modulus.",

keywords = "62.20.de, 63.20-e, 63.20.D-, 63.20.dk, Compressibility, Elastic constants, Ternary chalcopyrite",

author = "Kushwaha, \{A. K.\} and Ma, \{C. G.\} and Brik, \{M. G.\} and Omran, \{S. Bin\} and R. Khenata",

note = "Publisher Copyright: {\textcopyright} 2019",

year = "2019",

month = apr,

day = "1",

doi = "10.1016/j.matchemphys.2019.02.024",

language = "English",

volume = "227",

pages = "324--331",

journal = "Materials Chemistry and Physics",

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Kushwaha, AK, Ma, CG, Brik, MG, Omran, SB & Khenata, R 2019, ' Zone-center phonons and elastic properties of ternary chalcopyrite ABSe ₂ (A = Cu and Ag; B = al, Ga and In) ', Materials Chemistry and Physics, vol. 227, pp. 324-331. https://doi.org/10.1016/j.matchemphys.2019.02.024

Zone-center phonons and elastic properties of ternary chalcopyrite ABSe ₂ (A = Cu and Ag; B = al, Ga and In) . / Kushwaha, A. K.; Ma, C. G.; Brik, M. G. et al.
In: Materials Chemistry and Physics, Vol. 227, 01.04.2019, p. 324-331.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Zone-center phonons and elastic properties of ternary chalcopyrite ABSe 2 (A = Cu and Ag; B = al, Ga and In)

AU - Kushwaha, A. K.

AU - Ma, C. G.

AU - Brik, M. G.

AU - Omran, S. Bin

AU - Khenata, R.

PY - 2019/4/1

Y1 - 2019/4/1

N2 - The zone-center phonon frequencies and the elastic properties of six ternary chalcopyrite compounds represented by ABSe 2 (A = Cu and Ag; B = Al, Ga and In) are systematically calculated by using the rigid ion model. In the present paper, we calculate four bond-stretching and three bond-bending interactions, along with three effective dynamical charges. The calculated results are compared and found to be in fairly good agreement with the available experimental and theoretical results. The elastic anisotropy of the studied compounds is analyzed and visualized by plotting three-dimensional surfaces representing the directional dependences of Young's modulus.

AB - The zone-center phonon frequencies and the elastic properties of six ternary chalcopyrite compounds represented by ABSe 2 (A = Cu and Ag; B = Al, Ga and In) are systematically calculated by using the rigid ion model. In the present paper, we calculate four bond-stretching and three bond-bending interactions, along with three effective dynamical charges. The calculated results are compared and found to be in fairly good agreement with the available experimental and theoretical results. The elastic anisotropy of the studied compounds is analyzed and visualized by plotting three-dimensional surfaces representing the directional dependences of Young's modulus.

KW - 62.20.de

KW - 63.20-e

KW - 63.20.D-

KW - 63.20.dk

KW - Compressibility

KW - Elastic constants

KW - Ternary chalcopyrite

UR - https://www.scopus.com/pages/publications/85062155482

U2 - 10.1016/j.matchemphys.2019.02.024

DO - 10.1016/j.matchemphys.2019.02.024

M3 - Article

AN - SCOPUS:85062155482

SN - 0254-0584

VL - 227

SP - 324

EP - 331

JO - Materials Chemistry and Physics

JF - Materials Chemistry and Physics

ER -

Zone-center phonons and elastic properties of ternary chalcopyrite ABSe ₂ (A = Cu and Ag; B = al, Ga and In)

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Keywords

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