TY - JOUR
T1 - Existence or absence of bandgap bowing in II-VI ternary alloys
T2 - Comparison between common-anion and common-cation cases
AU - Tit, Nacir
AU - Obaidat, I. M.
AU - Reshak, A. H.
AU - Alawadhi, H.
PY - 2010
Y1 - 2010
N2 - The common-anion and common-cation II-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 sp3s*- 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 ZnSe xTe1-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-yTe and CdyZn1-ySe), 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 theoretical results and the recently available photoluminescence data does further corroborate our claims.
AB - The common-anion and common-cation II-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 sp3s*- 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 ZnSe xTe1-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-yTe and CdyZn1-ySe), 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 theoretical results and the recently available photoluminescence data does further corroborate our claims.
UR - http://www.scopus.com/inward/record.url?scp=77950486472&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=77950486472&partnerID=8YFLogxK
U2 - 10.1088/1742-6596/209/1/012024
DO - 10.1088/1742-6596/209/1/012024
M3 - Article
AN - SCOPUS:77950486472
SN - 1742-6588
VL - 209
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
M1 - 012024
ER -