Structural and electronic properties of GaN (x) As1-x alloys

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Structural and electronic properties of GaN (x) As1-x alloys

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

Structural and electronic properties of GaN (x) As1-x alloys

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BH - Optika, masery a lasery

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: Jihočeské výzkumné centrum akvakultury a biodiverzity hydrocenóz</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Applied Physics A - Materials Science and Processing

ISSN

0947-8396

e-ISSN

—

Svazek periodika

106

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

687-696

Kód UT WoS článku

000300260600029

EID výsledku v databázi Scopus

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