About: Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C3N4): DFT calculation

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The state-of-the-art all-electron full potential linear augmented plane wave based on density functional theory was applied for calculating the structural, electronic band structure, effective mass, density of state, and valence electron charge density of AA- and AB-stacking of carbon nitride (C3N4). Calculations were performed using four schemes, namely local density approximation (LDA-CA) by Ceperley-Alder, generalized gradient approximation developed by Perdew Burke and Ernzerhof (GGA-PBE), Engel-Vosko generalized gradient approximation (EV-GGA) and the recently developed modified Becke-Johnson (mBJ) potentials The state-of-the-art all-electron full potential linear augmented plane wave based on density functional theory was applied for calculating the structural, electronic band structure, effective mass, density of state, and valence electron charge density of AA- and AB-stacking of carbon nitride (C3N4). Calculations were performed using four schemes, namely local density approximation (LDA-CA) by Ceperley-Alder, generalized gradient approximation developed by Perdew Burke and Ernzerhof (GGA-PBE), Engel-Vosko generalized gradient approximation (EV-GGA) and the recently developed modified Becke-Johnson (mBJ) potentials (en)
Title	Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C3N4): DFT calculation Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C3N4): DFT calculation (en)
skos:prefLabel	Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C3N4): DFT calculation Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C3N4): DFT calculation (en)
skos:notation	RIV/49777513:23640/14:43921989!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	14
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Khan, Saleem Ayaz 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	14186
http://linked.open...ai/riv/idVysledku	RIV/49777513:23640/14:43921989
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Electronic properties; Structural (en)
http://linked.open.../riv/klicoveSlovo	Electronic properties Structural
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[C6BC3B55747A]
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	3 (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	Auluck, S. Khan, Saleem Ayaz Al-Jaary, Ali H. Reshak
http://linked.open...ain/vavai/riv/wos	000329992200014
issn	2046-2069
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/C3RA47130F
http://localhost/t...ganizacniJednotka	23640

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