About: Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations

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About: Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations 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://dx.doi.org/10.1103/PhysRevB.88.115315
Description	We present structural characterization of the wurtzite crystal structure of GaP nanowires, which were recently shown to have a direct electronic band gap. The structural parameters of the wurtzite phase do consist of two lattice parameters and one internal degree of freedom, determining the Ga-P bond length along the c direction. Using density functional theory calculations, we study the influence of the internal degree of freedom on the band structure. By synchrotron x-ray diffraction studies near the Ga-K edge we determine the lattice parameters a = 3.8419 angstrom and c = 6.3353 angstrom as well as the internal degree of freedom u = 0.37385 with high accuracy. We find that different Ga-P bond lengths are not equal, in contrast to the case in the zinc blende bulk phase. As a result, a spontaneous polarization is predicted for wurtzite GaP. We present structural characterization of the wurtzite crystal structure of GaP nanowires, which were recently shown to have a direct electronic band gap. The structural parameters of the wurtzite phase do consist of two lattice parameters and one internal degree of freedom, determining the Ga-P bond length along the c direction. Using density functional theory calculations, we study the influence of the internal degree of freedom on the band structure. By synchrotron x-ray diffraction studies near the Ga-K edge we determine the lattice parameters a = 3.8419 angstrom and c = 6.3353 angstrom as well as the internal degree of freedom u = 0.37385 with high accuracy. We find that different Ga-P bond lengths are not equal, in contrast to the case in the zinc blende bulk phase. As a result, a spontaneous polarization is predicted for wurtzite GaP. (en)
Title	Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations (en)
skos:prefLabel	Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations (en)
skos:notation	RIV/00216208:11320/13:10145606!RIV14-MSM-11320___
http://linked.open...avai/predkladatel	Matematicko-fyzikální fakulta
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Holý, Václav
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	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	112626
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/13:10145606
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	inas; stability; spectroscopy; aluminum nitride; crystal-structure (en)
http://linked.open.../riv/klicoveSlovo	aluminum nitride spectroscopy stability crystal-structure inas
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[955C8B6DEA68]
http://linked.open...i/riv/nazevZdroje	Physical Review B - Condensed Matter and Materials Physics
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	10 (xsd:int)
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	88
http://linked.open...iv/tvurceVysledku	Holý, Václav Assali, Simone Bakkers, Erik P. A. M. Bauer, Guenther Bechstedt, Friedhelm Belabbes, Abderrezak Etzelstorfer, Tanja Kriegner, Dominik Schuelli, Tobias Stangl, Julian
http://linked.open...ain/vavai/riv/wos	000325175600007
issn	1098-0121
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1103/PhysRevB.88.115315
http://localhost/t...ganizacniJednotka	11320

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