About: Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds

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Description	First principle calculations are performed to predict the electronic and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn) semiconductors chalcopyrite. Our calculated results are in excellent agreement with the available experimental values. The bandgap values decrease by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYAs2. The Zn and Cd-d states contribute significantly in the density of states. The distribution of thevalence charge density indicates theexistence ofthe covalent bonding between cations and anion. Optical properties of these compounds are described in terms of refractive index and reflectivity. The predicted refractive indexes are in excellent agreement with the measured ones.CdGeAs2 possess a high birefringence compared to the other compounds.Reflectivity is above 50% in the visible and ultraviolet regions of energy spectrum. The nature of the direct band gap in these compounds and their high reflectivity in visible and ultraviolet (UV) regions, make them promising candidate for optoelectronic, photonic and optic applications. First principle calculations are performed to predict the electronic and optical properties of XYP2 (X=Zn, Cd; Y=Si, Ge, Sn) semiconductors chalcopyrite. Our calculated results are in excellent agreement with the available experimental values. The bandgap values decrease by changing the cations X from Zn to Cd as well as Y from Si to Ge to Sn in XYAs2. The Zn and Cd-d states contribute significantly in the density of states. The distribution of thevalence charge density indicates theexistence ofthe covalent bonding between cations and anion. Optical properties of these compounds are described in terms of refractive index and reflectivity. The predicted refractive indexes are in excellent agreement with the measured ones.CdGeAs2 possess a high birefringence compared to the other compounds.Reflectivity is above 50% in the visible and ultraviolet regions of energy spectrum. The nature of the direct band gap in these compounds and their high reflectivity in visible and ultraviolet (UV) regions, make them promising candidate for optoelectronic, photonic and optic applications. (en)
Title	Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds (en)
skos:prefLabel	Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds Optoelectronic properties of XYAs2 (X=Zn, Cd; Y=Si, Sn) chalcopyrite compounds (en)
skos:notation	RIV/49777513:23640/14:43922000!RIV15-MSM-23640___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED2.1.00/03.0088)
http://linked.open...iv/cisloPeriodika	1-2
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	AL- JAARY, Ali Reshak
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	Západočeská univerzita v Plzni / Nové technologie - výzkumné centrum
http://linked.open...dnocenehoVysledku	35035
http://linked.open...ai/riv/idVysledku	RIV/49777513:23640/14:43922000
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Optical properties; Electronic properties; Chalcopyrites; Density functional theory (en)
http://linked.open.../riv/klicoveSlovo	Electronic properties Density functional theory Optical properties Chalcopyrites
http://linked.open...odStatuVydavatele	RO - Rumunsko
http://linked.open...ontrolniKodProRIV	[01EF4B409152]
http://linked.open...i/riv/nazevZdroje	Journal of Optoelectronics and Advanced Materials
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Centre of the New Technologies and Materials
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	16
http://linked.open...iv/tvurceVysledku	Khenata, R. Murtaza, G. Al-Jaary, Ali H. Reshak Hayat, S. S. Sibghat-Ullah, S.U.
http://linked.open...ain/vavai/riv/wos	000332347500019
issn	1454-4164
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	23640

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