Multi-component transparent conducting oxides: Progress in materials modelling

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

Research output: Contribution to journalReview articlepeer-review

74 Scopus citations


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
Issue number33
StatePublished - 24 Aug 2011


Dive into the research topics of 'Multi-component transparent conducting oxides: Progress in materials modelling'. Together they form a unique fingerprint.

Cite this