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Article: Phonon structures of GaN-based random semiconductor alloys

TitlePhonon structures of GaN-based random semiconductor alloys
Authors
KeywordsSolid State and Materials
Issue Date2017
PublisherSpringer. The Journal's web site is located at http://epjb.edpsciences.org
Citation
The European Physical Journal B: Condensed Matter and Complex Systems, 2017, v. 90 n. 12, p. 247:1-6 How to Cite?
AbstractAccurate modeling of thermal properties is strikingly important for developing next-generation electronics with high performance. Many thermal properties are closely related to phonon dispersions, such as sound velocity. However, random substituted semiconductor alloys AxB1-x usually lack translational symmetry, and simulation with periodic boundary conditions often requires large supercells, which makes phonon dispersion highly folded and hardly comparable with experimental results. Here, we adopt a large supercell with randomly distributed A and B atoms to investigate substitution effect on the phonon dispersions of semiconductor alloys systematically by using phonon unfolding method [F. Zheng, P. Zhang, Comput. Mater. Sci. 125, 218 (2016)]. The results reveal the extent to which phonon band characteristics in (In,Ga)N and Ga(N,P) are preserved or lost at different compositions and q points. Generally, most characteristics of phonon dispersions can be preserved with indium substitution of gallium in GaN, while substitution of nitrogen with phosphorus strongly perturbs the phonon dispersion of GaN, showing a rapid disintegration of the Bloch characteristics of optical modes and introducing localized impurity modes. In addition, the sound velocities of both (In,Ga)N and Ga(N,P) display a nearly linear behavior as a function of substitution compositions. © 2017, EDP Sciences, SIF, Springer-Verlag GmbH Germany, part of Springer Nature.
Persistent Identifierhttp://hdl.handle.net/10722/250627
ISSN
2017 Impact Factor: 1.536
2015 SCImago Journal Rankings: 0.524
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorZhou, M-
dc.contributor.authorChen, X-
dc.contributor.authorLi, G-
dc.contributor.authorZheng, FW-
dc.contributor.authorZhang, P-
dc.date.accessioned2018-01-18T04:29:57Z-
dc.date.available2018-01-18T04:29:57Z-
dc.date.issued2017-
dc.identifier.citationThe European Physical Journal B: Condensed Matter and Complex Systems, 2017, v. 90 n. 12, p. 247:1-6-
dc.identifier.issn1434-6028-
dc.identifier.urihttp://hdl.handle.net/10722/250627-
dc.description.abstractAccurate modeling of thermal properties is strikingly important for developing next-generation electronics with high performance. Many thermal properties are closely related to phonon dispersions, such as sound velocity. However, random substituted semiconductor alloys AxB1-x usually lack translational symmetry, and simulation with periodic boundary conditions often requires large supercells, which makes phonon dispersion highly folded and hardly comparable with experimental results. Here, we adopt a large supercell with randomly distributed A and B atoms to investigate substitution effect on the phonon dispersions of semiconductor alloys systematically by using phonon unfolding method [F. Zheng, P. Zhang, Comput. Mater. Sci. 125, 218 (2016)]. The results reveal the extent to which phonon band characteristics in (In,Ga)N and Ga(N,P) are preserved or lost at different compositions and q points. Generally, most characteristics of phonon dispersions can be preserved with indium substitution of gallium in GaN, while substitution of nitrogen with phosphorus strongly perturbs the phonon dispersion of GaN, showing a rapid disintegration of the Bloch characteristics of optical modes and introducing localized impurity modes. In addition, the sound velocities of both (In,Ga)N and Ga(N,P) display a nearly linear behavior as a function of substitution compositions. © 2017, EDP Sciences, SIF, Springer-Verlag GmbH Germany, part of Springer Nature.-
dc.languageeng-
dc.publisherSpringer. The Journal's web site is located at http://epjb.edpsciences.org-
dc.relation.ispartofThe European Physical Journal B: Condensed Matter and Complex Systems-
dc.rightsThe final publication is available at Springer via http://dx.doi.org/[insert DOI]-
dc.subjectSolid State and Materials-
dc.titlePhonon structures of GaN-based random semiconductor alloys-
dc.typeArticle-
dc.identifier.emailChen, X: xiaobin@HKUCC-COM.hku.hk-
dc.identifier.doi10.1140/epjb/e2017-80481-0-
dc.identifier.scopuseid_2-s2.0-85038584130-
dc.identifier.hkuros284001-
dc.identifier.volume90-
dc.identifier.issue12-
dc.identifier.spage247:1-
dc.identifier.epage6-
dc.identifier.isiWOS:000417762500001-
dc.publisher.placeGermany-

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