About: Theoretical study on optical and thermoelectric properties of the direct band gap alfa/beta-Ca2CdAs2 pnictide semiconductors

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Theoretical study on optical and thermoelectric properties of the direct band gap alfa/beta-Ca2CdAs2 pnictide semiconductors Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	This article reports the utilization of the density functional theory within the Perdew-Burke-Ernzerhof generalized gradient functional for the electronic structure, optical and thermoelectric properties of the alfa-Ca2CdAs2 and beta-Ca2CdAs2 single crystals. The theoretical calculations show that both compounds are direct band gap semiconductors with optical band gap of 0.96 eV and 0.79 eV at the point for alfa- and beta-phases respectively, which show that these compounds are optically active. The total and projected density of states, electronic charge density and optical properties like complex dielectric function, energy loss function, absorption coefficient, reflectivity, refractive index, and extension coefficient of alfa/beta-Ca2CdAs2 were studied using the above technique. The calculated results for the energy band structures are compared with experimental and other simulated data. Temperature dependent thermoelectric properties such as electrical and thermal conductivity, Seebeck coefficient, power factor and figure of merit were calculated. Our results show that alfa- and beta-Ca2CdAs2 compounds are suitable materials for non-linear optical properties and for thermoelectric devices. This article reports the utilization of the density functional theory within the Perdew-Burke-Ernzerhof generalized gradient functional for the electronic structure, optical and thermoelectric properties of the alfa-Ca2CdAs2 and beta-Ca2CdAs2 single crystals. The theoretical calculations show that both compounds are direct band gap semiconductors with optical band gap of 0.96 eV and 0.79 eV at the point for alfa- and beta-phases respectively, which show that these compounds are optically active. The total and projected density of states, electronic charge density and optical properties like complex dielectric function, energy loss function, absorption coefficient, reflectivity, refractive index, and extension coefficient of alfa/beta-Ca2CdAs2 were studied using the above technique. The calculated results for the energy band structures are compared with experimental and other simulated data. Temperature dependent thermoelectric properties such as electrical and thermal conductivity, Seebeck coefficient, power factor and figure of merit were calculated. Our results show that alfa- and beta-Ca2CdAs2 compounds are suitable materials for non-linear optical properties and for thermoelectric devices. (en)
Title	Theoretical study on optical and thermoelectric properties of the direct band gap alfa/beta-Ca2CdAs2 pnictide semiconductors Theoretical study on optical and thermoelectric properties of the direct band gap alfa/beta-Ca2CdAs2 pnictide semiconductors (en)
skos:prefLabel	Theoretical study on optical and thermoelectric properties of the direct band gap alfa/beta-Ca2CdAs2 pnictide semiconductors Theoretical study on optical and thermoelectric properties of the direct band gap alfa/beta-Ca2CdAs2 pnictide semiconductors (en)
skos:notation	RIV/49777513:23640/14:43923349!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	87
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Khan, Wilayat Minár, Jan
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	50259
http://linked.open...ai/riv/idVysledku	RIV/49777513:23640/14:43923349
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Boltztrap code; FP-LAPW; power factor; optical properties; Electronic structure (en)
http://linked.open.../riv/klicoveSlovo	Boltztrap code power factor Electronic structure optical properties FP-LAPW
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[33827C74455D]
http://linked.open...i/riv/nazevZdroje	RSC Advances
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (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	4
http://linked.open...iv/tvurceVysledku	Minár, Jan Khan, Wilayat
http://linked.open...ain/vavai/riv/wos	000342761800053
issn	2046-2069
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/c4ra06700b
http://localhost/t...ganizacniJednotka	23640

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 25 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software