Structural and electronic properties of GaN (x) As1-x alloys
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F12%3A43884030" target="_blank" >RIV/60076658:12520/12:43884030 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s00339-011-6666-8" target="_blank" >http://dx.doi.org/10.1007/s00339-011-6666-8</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00339-011-6666-8" target="_blank" >10.1007/s00339-011-6666-8</a>
Alternative languages
Result language
angličtina
Original language name
Structural and electronic properties of GaN (x) As1-x alloys
Original language description
The structural and electronic properties of cubic GaN (x) As1-x with N-concentration varying between 0.0 and 1.0 with step of 0.25 were investigated using the full potential-linearized augmented plane wave (FP-LAPW) method. We have used the local densityapproximation (LDA) and the generalized gradient approximation (GGA) for the exchange and correlation potential. In addition the Engel-Vosko generalized gradient approximation (EVGGA) was used for the band-structure calculations. The structural properties of the binary and ternary alloys were investigated. The electronic band structure, total and partial density of states as well as the electron charge density were determined for both the binary and their related ternary alloys. The energy gap of the alloys decreases when we move from x=0.0 to 0.25; then it increases by a factor of about 1.8 when we move from 0.25 to 0.5, 0.75 and 1.0 using EVGGA. For both LDA and GGA moving from x=0.0 to 0.25 causes the band gap to close, showing the
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BH - Optics, masers and lasers
OECD FORD branch
—
Result continuities
Project
<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Applied Physics A - Materials Science and Processing
ISSN
0947-8396
e-ISSN
—
Volume of the periodical
106
Issue of the periodical within the volume
3
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
687-696
UT code for WoS article
000300260600029
EID of the result in the Scopus database
—