About: Calculation of Thermodynamic Properties of AIII Nitrides

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

About: Calculation of Thermodynamic Properties of AIII Nitrides 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	The enthalpies of formation of three AIII nitrides, AlN, GaN, and InN with wurtzite-type structure, were assessed using an ab-initio density functional theory approach. A full-potential LAPW method within the generalized gradient approximation implemented in the WIEN2k package was employed to obtain the total cohesive energies of AIIIN, the corresponding metallic elements and the N2 molecule. Furthermore, the entropies and specific heats at T=298.15K were obtained from an analysis of the low temperature heat capacity data using a Debye-Einstein model. The total energies and the integrated low-temperature heat capacities were eventually combined to evaluate the resulting heats of formation of AIIIN at T =298.15 K. The enthalpies of formation of three AIII nitrides, AlN, GaN, and InN with wurtzite-type structure, were assessed using an ab-initio density functional theory approach. A full-potential LAPW method within the generalized gradient approximation implemented in the WIEN2k package was employed to obtain the total cohesive energies of AIIIN, the corresponding metallic elements and the N2 molecule. Furthermore, the entropies and specific heats at T=298.15K were obtained from an analysis of the low temperature heat capacity data using a Debye-Einstein model. The total energies and the integrated low-temperature heat capacities were eventually combined to evaluate the resulting heats of formation of AIIIN at T =298.15 K. (en) The enthalpies of formation of three AIII nitrides, AlN, GaN, and InN with wurtzite-type structure, were assessed using an ab-initio density functional theory approach. A full-potential LAPW method within the generalized gradient approximation implemented in the WIEN2k package was employed to obtain the total cohesive energies of AIIIN, the corresponding metallic elements and the N2 molecule. Furthermore, the entropies and specific heats at T=298.15K were obtained from an analysis of the low temperature heat capacity data using a Debye-Einstein model. The total energies and the integrated low-temperature heat capacities were eventually combined to evaluate the resulting heats of formation of AIIIN at T =298.15 K. (cs)
Title	Calculation of Thermodynamic Properties of AIII Nitrides Výpočet termodynamických vlastností nitridů prvků skupiny AIII (cs) Calculation of Thermodynamic Properties of AIII Nitrides (en)
skos:prefLabel	Calculation of Thermodynamic Properties of AIII Nitrides Výpočet termodynamických vlastností nitridů prvků skupiny AIII (cs) Calculation of Thermodynamic Properties of AIII Nitrides (en)
skos:notation	RIV/60461373:22310/06:00016999!RIV07-MSM-22310___
http://linked.open.../vavai/riv/strany	66-70
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA104/03/0387), P(GA104/06/0642), Z(MSM6046137302)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Leitner, Jindřich Sedmidubský, David
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	467636
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/06:00016999
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	AIII nitrides; thermodynamic properties; enthalpy; entropy; cohesive energy; electronic structure (en)
http://linked.open.../riv/klicoveSlovo	electronic structure entropy thermodynamic properties cohesive energy enthalpy AIII nitrides
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[D03AA621BDF7]
http://linked.open...i/riv/nazevZdroje	Journal Cryst.Growth
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Chemical aspects of thin layer deposition of the AIII-nitrides in relation to electronic applications Thin Films of Magnetically Doped A(iii)N Semiconductors for Spin Electronics Applications
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	286
http://linked.open...iv/tvurceVysledku	Leitner, Jindřich Sedmidubský, David
http://linked.open...n/vavai/riv/zamer	Preparation and research of functional materials and material technologies using micro- and nanoscopic methods
issn	0022-0248
number of pages	5 (xsd:int)
http://localhost/t...ganizacniJednotka	22310
is http://linked.open...avai/riv/vysledek of	Calculation of Thermodynamic Properties of AIII Nitrides Calculation of Thermodynamic Properties of AIII Nitrides

Faceted Search & Find service v1.16.116 as of Feb 22 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of Feb 22 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 82 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software