AVS 58th Annual International Symposium and Exhibition
    Transparent Conductors and Printable Electronics Focus Topic Thursday Sessions
       Session TC+AS+EM-ThM

Invited Paper TC+AS+EM-ThM3
Multi-component Transparent Conducting Oxides: Progress in Materials Modeling

Thursday, November 3, 2011, 8:40 am, Room 106

Session: Transparent / Printable Electronics Part 1
Presenter: Su-Huai Wei, National Renewable Energy Laboratory
Correspondent: Click to Email
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, In2O3, Ga2O3 and Al2O3, with a particular emphasis on the contributions of materials modeling, 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 (In2O3)(ZnO)n, named IZO, and (In2O3)m(Ga2O3)l(ZnO)n, named IGZO; (ii) the relationship between elemental composition and optical and electrical behavior; (iii) the origin of high-performance of amorphous oxide semiconductors. From these advances, the challenge of the rational design of novel electroceramic materials is discussed.