Multi-component transparent conducting oxides: Progress in materials modelling

Aron Walsh, Juarez L.F. Da Silva, Su Huai Wei

Research output: Contribution to journalReview article

57 Citations (Scopus)

Abstract

Transparent conducting oxides (TCOs) play an essential role in modern optoelectronic devices through their combination of electrical conductivity and optical transparency. We review recent progress in our understanding of multi-component TCOs formed from solid solutions of ZnO, In2O 3, Ga2O3 and Al2O3, with a particular emphasis on the contributions of materials modelling, primarily based on density functional theory. In particular, we highlight three major results from our work: (i)the fundamental principles governing the crystal structures of multi-component oxide structures including (In2O 3)(ZnO)n and (In2O3) m(Ga2O3)l(ZnO)n; (ii)the relationship between elemental composition and optical and electrical behaviour, including valence band alignments; (iii)the high performance of amorphous oxide semiconductors. On the basis of these advances, the challenge of the rational design of novel electroceramic materials is discussed.

Original languageEnglish
Article number334210
JournalJournal of Physics Condensed Matter
Volume23
Issue number33
DOIs
Publication statusPublished - 2011 Aug 24

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

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