Bandgap characters in GaAs-based ternary alloys

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F10%3A00012448" target="_blank" >RIV/60076658:12640/10:00012448 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Bandgap characters in GaAs-based ternary alloys

Popis výsledku v původním jazyce

The existence and origins of the bowing character in the bandgap variation of GaAs-based ternary alloys arc theoretically investigated based on two different computational methods. Within the framework of the virtual crystal approximation (VCA), both theempirical sp(3)s* tight-binding (TB) method with, and without, the inclusion of the spin-orbit coupling effects, and the first-principle full-potential linear augmented plane wave (FP-LAPW) technique are applied on both the common-cation GaSbxAs1-x andthe common-anion Ga1-xInxAs alloys. These methods are used to calculate the bandgap energy, the partial and total densities of states and the constituent charge ionicity versus the composition x. The results show that the bowing behavior exists in the case of common-cation alloys (GaSbxAs1-x) as a manifestation of a competition between the anion atoms (As and Sb) in trapping the made-available-cationic charges. The bowing parameter is found to be proportional to the electronegativity cha

Název v anglickém jazyce

Bandgap characters in GaAs-based ternary alloys

Popis výsledku anglicky

The existence and origins of the bowing character in the bandgap variation of GaAs-based ternary alloys arc theoretically investigated based on two different computational methods. Within the framework of the virtual crystal approximation (VCA), both theempirical sp(3)s* tight-binding (TB) method with, and without, the inclusion of the spin-orbit coupling effects, and the first-principle full-potential linear augmented plane wave (FP-LAPW) technique are applied on both the common-cation GaSbxAs1-x andthe common-anion Ga1-xInxAs alloys. These methods are used to calculate the bandgap energy, the partial and total densities of states and the constituent charge ionicity versus the composition x. The results show that the bowing behavior exists in the case of common-cation alloys (GaSbxAs1-x) as a manifestation of a competition between the anion atoms (As and Sb) in trapping the made-available-cationic charges. The bowing parameter is found to be proportional to the electronegativity cha

Druh

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

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2010

Kód důvěrnosti údajů

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

Název periodika

Crystal Research and Technology

ISSN

0232-1300

e-ISSN

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Svazek periodika

45

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

11

Strana od-do

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Kód UT WoS článku

000274058500010

EID výsledku v databázi Scopus

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