About: Electronic structure; optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures

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About: Electronic structure; optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures Goto Sponge NotDistinct Permalink

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Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S1369800113001066
Description	First principles calculations within the density functional theory framework were carried out to calculate electronic structures and dielectric constant predictions of InGaP2 and InAlP2 compounds. We use three arrangements of these compounds: CuAu-I, CuPt and chalcopyrite ones. Different approximations have been dealt with in order to predict valuable bands gaps energy using DFT calculations. Electronics structure results are promising, due to the good agreement with a number of observable physical-chemistry properties. On the other hand, electron localization function and atom in molecule formalisms have been done to give more insight on the bonding properties. Capabilities that exhibit the InAlP2 in its CuAu-I structure, such as the anisotropy and second harmonic generation, make it promising for an intensive optoelectronic application. First principles calculations within the density functional theory framework were carried out to calculate electronic structures and dielectric constant predictions of InGaP2 and InAlP2 compounds. We use three arrangements of these compounds: CuAu-I, CuPt and chalcopyrite ones. Different approximations have been dealt with in order to predict valuable bands gaps energy using DFT calculations. Electronics structure results are promising, due to the good agreement with a number of observable physical-chemistry properties. On the other hand, electron localization function and atom in molecule formalisms have been done to give more insight on the bonding properties. Capabilities that exhibit the InAlP2 in its CuAu-I structure, such as the anisotropy and second harmonic generation, make it promising for an intensive optoelectronic application. (en)
Title	Electronic structure; optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures Electronic structure; optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures (en)
skos:prefLabel	Electronic structure; optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures Electronic structure; optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures (en)
skos:notation	RIV/60076658:12520/13:43885180!RIV14-MSM-12520___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED2.1.00/01.0024)
http://linked.open...iv/cisloPeriodika	6
http://linked.open...vai/riv/dodaniDat	2014
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 / Fakulta rybářství a ochrany vod
http://linked.open...dnocenehoVysledku	72436
http://linked.open...ai/riv/idVysledku	RIV/60076658:12520/13:43885180
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Nonlinear optical properties; ab initio calculations; Indium-based compounds (en)
http://linked.open.../riv/klicoveSlovo	Indium-based compounds ab initio calculations Nonlinear optical properties
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F1854737D76D]
http://linked.open...i/riv/nazevZdroje	MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
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	2013
http://linked.open...v/svazekPeriodika	16
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Lasri, B. Ouahrani, Tank Benouaz, T. Bouhafs, B. Seddiki, N.
http://linked.open...ain/vavai/riv/wos	000327166000015
issn	1369-8001
number of pages	12 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.mssp.2013.04.006
http://localhost/t...ganizacniJednotka	12520

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