Existence or absence of bandgap bowing in II-VI ternary alloys: comparison between common-anion and common-cation cases

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F10%3A00012457" target="_blank" >RIV/60076658:12640/10:00012457 - 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

Existence or absence of bandgap bowing in II-VI ternary alloys: comparison between common-anion and common-cation cases

Popis výsledku v původním jazyce

The common-anion and common-cation H-VI ternary alloys of the family Cd(Zn)Se(Te) are theoretically investigated based on two different methods Within the virtual-crystal approximation (VCA), both the sp(3)s*-tight-binding method, with the inclusion of spin-orbit coupling, and the first-principle full-potential linear augmented plane waves (FP-LAPW) technique are employed to determine the alloy constituents' charge states (ionicities) and degree of bond polarity The results show that (i) in the common-cation ternary alloys (i e, CdSexTe1 (x) and ZnSexTe1 (x)), the anions alter a strong competition in trapping more charge Such a competition builds up a compromised effect yielding the bowing behaviour Whereas, (ii) in the common-anion ternary alloys (i e, CdyZn1 Te-y and CdyZn1 Se-y), the absence of such competition would cause the complete absence of bandgap bowing behaviour The variation of the bandgap is found to be rather close to linear The obtained good agreement between our theore

Název v anglickém jazyce

Existence or absence of bandgap bowing in II-VI ternary alloys: comparison between common-anion and common-cation cases

Popis výsledku anglicky

The common-anion and common-cation H-VI ternary alloys of the family Cd(Zn)Se(Te) are theoretically investigated based on two different methods Within the virtual-crystal approximation (VCA), both the sp(3)s*-tight-binding method, with the inclusion of spin-orbit coupling, and the first-principle full-potential linear augmented plane waves (FP-LAPW) technique are employed to determine the alloy constituents' charge states (ionicities) and degree of bond polarity The results show that (i) in the common-cation ternary alloys (i e, CdSexTe1 (x) and ZnSexTe1 (x)), the anions alter a strong competition in trapping more charge Such a competition builds up a compromised effect yielding the bowing behaviour Whereas, (ii) in the common-anion ternary alloys (i e, CdyZn1 Te-y and CdyZn1 Se-y), the absence of such competition would cause the complete absence of bandgap bowing behaviour The variation of the bandgap is found to be rather close to linear The obtained good agreement between our theore

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

Journal of Physics: Conference Series

ISSN

1742-6588

e-ISSN

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Svazek periodika

209

Číslo periodika v rámci svazku

podzim

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

4

Strana od-do

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Kód UT WoS článku

000283739100024

EID výsledku v databázi Scopus

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