About: EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We report results of first-principles density functional calculations using the full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) and the Engel-Vosko-GGA (EV-GGA) formalism were used for the exchange-correlation energy to calculate the structural, electronic, linear, and nonlinear optical properties of the chalcopyrite ZnCdTe(2) compound. The valence band maximum and the conduction band minimum are located at the G-point, resulting in a direct band gap of about 0.71 eV for GGA and 1.29 eV for EV-GGA. The results of bulk properties, such as lattice parameters (a, c, and u), bulk modulus B, and its pressure derivative B' are evaluated. The optical properties of this compound, namely the real and the imaginary parts of the dielectric function, reflectivity, and refractive index, show a considerable anisotropy as a consequence ZnCdTe(2) posseses a strong birefringence. In addition, the extinction coefficient, the electron energy loss function, and the nonlinear susceptibility are calculated and their spectra are analyzed. We report results of first-principles density functional calculations using the full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) and the Engel-Vosko-GGA (EV-GGA) formalism were used for the exchange-correlation energy to calculate the structural, electronic, linear, and nonlinear optical properties of the chalcopyrite ZnCdTe(2) compound. The valence band maximum and the conduction band minimum are located at the G-point, resulting in a direct band gap of about 0.71 eV for GGA and 1.29 eV for EV-GGA. The results of bulk properties, such as lattice parameters (a, c, and u), bulk modulus B, and its pressure derivative B' are evaluated. The optical properties of this compound, namely the real and the imaginary parts of the dielectric function, reflectivity, and refractive index, show a considerable anisotropy as a consequence ZnCdTe(2) posseses a strong birefringence. In addition, the extinction coefficient, the electron energy loss function, and the nonlinear susceptibility are calculated and their spectra are analyzed. (en)
Title	EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite (en)
skos:prefLabel	EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite EnglishStructural, electronic, linear, and nonlinear optical properties of ZnCdTe(2) chalcopyrite (en)
skos:notation	RIV/60076658:12640/11:43882932!RIV12-MSM-12640___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(ED2.1.00/01.0024), Z(MSM6007665808)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Reshak, Ali Hussain
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Jihočeská univerzita v Českých Budějovicích / Ústav fyzikální biologie
http://linked.open...dnocenehoVysledku	197588
http://linked.open...ai/riv/idVysledku	RIV/60076658:12640/11:43882932
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	optical properties; nonlinear optics; generalized gradient approximation; FP-LAPW; electronic structure; density functional theory (en)
http://linked.open.../riv/klicoveSlovo	electronic structure generalized gradient approximation nonlinear optics optical properties FP-LAPW density functional theory
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[66B4D8F12CB2]
http://linked.open...i/riv/nazevZdroje	Physica Status Solidi B - Basic Research
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	248
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Baltache, H. Khenata, R. Amrani, B. Bouhemadou, A. Ouahrani, Tarik
http://linked.open...ain/vavai/riv/wos	000288089900030
http://linked.open...n/vavai/riv/zamer	Fyzikální biologie -nové přístupy v biologickém výzkumu
issn	0370-1972
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1002/pssb.200945463
http://localhost/t...ganizacniJednotka	12640

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