Please use this identifier to cite or link to this item:
|Title:||Vibrational and dielectric properties of magnesium aluminate spinel: A first-principles study||Authors:||Zeng, Q.
Magnesium aluminate spinel
|Issue Date:||19-Sep-2011||Citation:||Zeng, 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||Abstract:||The 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.||Source Title:||Physics Letters, Section A: General, Atomic and Solid State Physics||URI:||http://scholarbank.nus.edu.sg/handle/10635/98556||ISSN:||03759601||DOI:||10.1016/j.physleta.2011.08.020|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Apr 1, 2020
WEB OF SCIENCETM
checked on Jul 10, 2019
checked on Mar 28, 2020
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.