Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F13%3A10145606" target="_blank" >RIV/00216208:11320/13:10145606 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.88.115315" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.88.115315</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.88.115315" target="_blank" >10.1103/PhysRevB.88.115315</a>
Alternative languages
Result language
angličtina
Original language name
Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations
Original language 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 theGa-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.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B - Condensed Matter and Materials Physics
ISSN
1098-0121
e-ISSN
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Volume of the periodical
88
Issue of the periodical within the volume
11
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
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UT code for WoS article
000325175600007
EID of the result in the Scopus database
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