Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.physleta.2011.08.020
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dc.titleVibrational and dielectric properties of magnesium aluminate spinel: A first-principles study
dc.contributor.authorZeng, Q.
dc.contributor.authorZhang, L.
dc.contributor.authorZhang, X.
dc.contributor.authorChen, Q.
dc.contributor.authorFeng, Z.
dc.contributor.authorCai, Y.
dc.contributor.authorCheng, L.
dc.contributor.authorWeng, Z.
dc.date.accessioned2014-10-16T09:48:29Z
dc.date.available2014-10-16T09:48:29Z
dc.date.issued2011-09-19
dc.identifier.citationZeng, Q., Zhang, L., Zhang, X., Chen, Q., Feng, Z., Cai, Y., Cheng, L., Weng, Z. (2011-09-19). Vibrational and dielectric properties of magnesium aluminate spinel: A first-principles study. Physics Letters, Section A: General, Atomic and Solid State Physics 375 (40) : 3521-3524. ScholarBank@NUS Repository. https://doi.org/10.1016/j.physleta.2011.08.020
dc.identifier.issn03759601
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/98556
dc.description.abstractThe vibrational and dielectric properties of MgAl2O4 are investigated within the framework of density functional perturbation theory. Results of phonon frequencies at the Brillouin zone center, static dielectric constant, and electronic dielectric constant are reported. In comparison with experimental results, we find that the generalized gradient approximation potential results in more accurate phonon frequencies than local density approximation potential does. Dielectric, refractive index, extinction coefficient and infrared reflectance spectra of MgAl2O4 are given, and the figures suggest that MgAl2O4 presents good transmission properties in the spectrum range above 1000 cm-1 and below 300 cm-1. © 2011 Elsevier B.V. All rights reserved.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.physleta.2011.08.020
dc.sourceScopus
dc.subjectDielectric spectrum
dc.subjectFirst-principles
dc.subjectMagnesium aluminate spinel
dc.subjectPhonon mode
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1016/j.physleta.2011.08.020
dc.description.sourcetitlePhysics Letters, Section A: General, Atomic and Solid State Physics
dc.description.volume375
dc.description.issue40
dc.description.page3521-3524
dc.description.codenPYLAA
dc.identifier.isiut000295430900008
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