About: Electronic properties of orthorhombic LiGaS2 and LiGaSe2

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

About: Electronic properties of orthorhombic LiGaS2 and LiGaSe2 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	We report theoretical calculations of the band structure and density of states for orthorhombic LiGaS2 (LGS) and LiGaSe2 (LGSe). These calculations are based on the full potential linear augmented plane wave (FP-LAPW) method within a framework of density functional theory. Our calculations show that these crystals have similar band structures. The valence band maximum (VBM) and the conduction band minimum (CBM) are located at Gamma, resulting in a direct energy band gap. The VBM is dominated by S/Se-p and Li-p states, while the CBM is dominated by Ga-s, S/Se-p and small contributions of Li-p and Ga-p. From the partial density of states we find that Li-p hybridizes with Li-s below the Fermi energy (EF), while Li-s/p hybridizes with Ga-p below and above EF. Also, we note that S/Se-p hybridizes with Ga-s below and above EF. We report theoretical calculations of the band structure and density of states for orthorhombic LiGaS2 (LGS) and LiGaSe2 (LGSe). These calculations are based on the full potential linear augmented plane wave (FP-LAPW) method within a framework of density functional theory. Our calculations show that these crystals have similar band structures. The valence band maximum (VBM) and the conduction band minimum (CBM) are located at Gamma, resulting in a direct energy band gap. The VBM is dominated by S/Se-p and Li-p states, while the CBM is dominated by Ga-s, S/Se-p and small contributions of Li-p and Ga-p. From the partial density of states we find that Li-p hybridizes with Li-s below the Fermi energy (EF), while Li-s/p hybridizes with Ga-p below and above EF. Also, we note that S/Se-p hybridizes with Ga-s below and above EF. (en)
Title	Electronic properties of orthorhombic LiGaS2 and LiGaSe2 Electronic properties of orthorhombic LiGaS2 and LiGaSe2 (en)
skos:prefLabel	Electronic properties of orthorhombic LiGaS2 and LiGaSe2 Electronic properties of orthorhombic LiGaS2 and LiGaSe2 (en)
skos:notation	RIV/67179843:_____/09:00343290!RIV11-AV0-67179843
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z60870520)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2011
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	Centrum výzkumu globální změny AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	312872
http://linked.open...ai/riv/idVysledku	RIV/67179843:_____/09:00343290
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	single-crystals; growth; TE; SE (en)
http://linked.open.../riv/klicoveSlovo	single-crystals growth TE SE
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[36CA3A7AFBA6]
http://linked.open...i/riv/nazevZdroje	Applied Physics A - Materials Science & 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...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	94
http://linked.open...iv/tvurceVysledku	Al-Douri, Y. Auluck, S. Khenata, R. Kityk, I. V. Bouhemadou, A. Reshak, Ali H
http://linked.open...ain/vavai/riv/wos	000261257100017
http://linked.open...n/vavai/riv/zamer	Spatial and functional dynamics of biological, ecological and socio-economic systems interacting with global climatic change
issn	0947-8396
number of pages	6 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Electronic properties of orthorhombic LiGaS2 and LiGaSe2 Electronic properties of orthorhombic LiGaS2 and LiGaSe2 Electronic properties of orthorhombic LiGaS2 and LiGaSe2

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, 58 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software