Pressure effects on the phonon modes in beryllium chalcogenides

Z. Mameri; A. Zaoui; A. Belabbes; M. Ferhat

doi:10.1016/j.matchemphys.2010.04.037

Pressure effects on the phonon modes in beryllium chalcogenides

Z. Mameri, A. Zaoui^*, A. Belabbes, M. Ferhat

^*Corresponding author for this work

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

16 Scopus citations

Abstract

We report first-principles calculations of the structural, lattice-dynamical and dielectric properties for zinc-blend beryllium chalcogenides: BeS, BeSe, and BeTe. The ground state properties, such as the lattice structure and bulk modulus, are calculated using a plane wave pseudopotential method within the density functional theory. A linear response approach is employed in order to derive the high-frequency dielectric constants, Born effective charges and phonon frequencies. Furthermore, the pressure dependence of phonon modes is also detailed.

Original language	English (US)
Pages (from-to)	343-346
Number of pages	4
Journal	Materials Chemistry and Physics
Volume	123
Issue number	1
DOIs	https://doi.org/10.1016/j.matchemphys.2010.04.037
State	Published - Sep 1 2010
Externally published	Yes

Keywords

Ab initio
BeX
Phonons

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics

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10.1016/j.matchemphys.2010.04.037

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title = "Pressure effects on the phonon modes in beryllium chalcogenides",

abstract = "We report first-principles calculations of the structural, lattice-dynamical and dielectric properties for zinc-blend beryllium chalcogenides: BeS, BeSe, and BeTe. The ground state properties, such as the lattice structure and bulk modulus, are calculated using a plane wave pseudopotential method within the density functional theory. A linear response approach is employed in order to derive the high-frequency dielectric constants, Born effective charges and phonon frequencies. Furthermore, the pressure dependence of phonon modes is also detailed.",

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author = "Z. Mameri and A. Zaoui and A. Belabbes and M. Ferhat",

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T1 - Pressure effects on the phonon modes in beryllium chalcogenides

AU - Mameri, Z.

AU - Zaoui, A.

AU - Belabbes, A.

AU - Ferhat, M.

PY - 2010/9/1

Y1 - 2010/9/1

N2 - We report first-principles calculations of the structural, lattice-dynamical and dielectric properties for zinc-blend beryllium chalcogenides: BeS, BeSe, and BeTe. The ground state properties, such as the lattice structure and bulk modulus, are calculated using a plane wave pseudopotential method within the density functional theory. A linear response approach is employed in order to derive the high-frequency dielectric constants, Born effective charges and phonon frequencies. Furthermore, the pressure dependence of phonon modes is also detailed.

AB - We report first-principles calculations of the structural, lattice-dynamical and dielectric properties for zinc-blend beryllium chalcogenides: BeS, BeSe, and BeTe. The ground state properties, such as the lattice structure and bulk modulus, are calculated using a plane wave pseudopotential method within the density functional theory. A linear response approach is employed in order to derive the high-frequency dielectric constants, Born effective charges and phonon frequencies. Furthermore, the pressure dependence of phonon modes is also detailed.

KW - Ab initio

KW - BeX

KW - Phonons

UR - http://www.scopus.com/inward/record.url?scp=77953127286&partnerID=8YFLogxK

U2 - 10.1016/j.matchemphys.2010.04.037

DO - 10.1016/j.matchemphys.2010.04.037

M3 - Article

AN - SCOPUS:77953127286

SN - 0254-0584

VL - 123

SP - 343

EP - 346

JO - Materials Chemistry and Physics

JF - Materials Chemistry and Physics

IS - 1

ER -

Pressure effects on the phonon modes in beryllium chalcogenides

Abstract

Keywords

ASJC Scopus subject areas

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