NDLI: Electronic and optical properties under pressure effect of alkali metal oxides

Content Provider	Springer Nature Link
Author	Moakafi, M. Khenata, R. Bouhemadou, A. Khachai, H. Amrani, B. Rached, D. Rérat, M.
Copyright Year	2008
Abstract	We report results of first-principles calculations for the electronic and optical properties under pressure effect of Li2O, Na2O, Ki2O and Rb2O compounds in the cubic antifluorite structure, using a full relativistic version of the full-potential augmented plane-wave plus local orbitals (FP-APW+lo) method based on density functional theory, within the local density approximation (LDA) and the generalized gradient approximation (GGA). Moreover, the alternative form of GGA proposed by Engel and Vosko (GGA-EV) is also used for band structure calculations. The calculated equilibrium lattices and bulk moduli are in good agreement with the available data. Band structure, density of states, and pressure coefficients of the fundamental energy gap are given. The critical point structure of the frequency dependent complex dielectric function is also calculated and analyzed to identify the optical transitions. The pressure dependence of the static optical dielectric constant is also investigated.
Starting Page	35
Ending Page	42
Page Count	8
File Format	PDF
ISSN	14346028
Journal	The European Physical Journal B
Volume Number	64
Issue Number	1
e-ISSN	14346036
Language	English
Publisher	Springer-Verlag
Publisher Date	2008-07-31
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Superconductivity, Superfluidity, Quantum Fluids Solid State Physics and Spectroscopy Fluids Complexity Physics Condensed Matter
Content Type	Text
Resource Type	Article
Subject	Electronic, Optical and Magnetic Materials Condensed Matter Physics

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