Comparison of bowing behaviors between III-V and II-VI common-cation semiconductor ternary alloys

Nacir Tit, Noureddine Amrane, Ali Hussain Reshak

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

The scope of the present investigation is to make a clear contrast between the bandgap bowing characters of III-V and II-VI compound-semiconductor common-cation ternary alloys. For this aim, both the sp 3 s - tight-binding method, with the inclusion of spin-orbit coupling, and the full-potential linear augmented plane-wave technique are used to calculate the partial and total densities of states, the constituent ionicity, and the total electron charge density for the common-cation GaSb x As 1-x and CdSe x Te 1-x ternary alloys. The results show that the bowing is sensitive to competition between the anions for trapping/losing electric charges. The lack of this competition would result in complete absence of the bowing, as is the case for common-anion ternary alloys. In the common-cation ternary alloys studied herein, the bowing is found to be proportional to the electronegativity of the anions χ anion (i.e., the 6-valency anions are more electronegative than the 5-valency ones, and consequently the former result in stronger intercompetition and yield stronger bowing in the II-VI alloys) and also proportional to the relative mismatch in electronegativity between the competing anions (δX anion/X ave anion). The excellent agreement between our theoretical results and recent photoluminescence data corroborates our claim.

Original languageEnglish
Pages (from-to)178-186
Number of pages9
JournalJournal of Electronic Materials
Volume39
Issue number2
DOIs
Publication statusPublished - Feb 2010

Keywords

  • Electronic structure calculations
  • II-VI semiconductors
  • III-V semiconductors
  • Photoluminescence

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering
  • Materials Chemistry

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