Microscopic origin of universal quasilinear band structures of transparent conducting oxides.
نویسندگان
چکیده
A tight-binding-based microscopic theory is developed that accounts for quasilinear conduction bands appearing commonly in transparent conducting oxides. It is found that the interaction between oxygen p and metal s orbtials plays a critical role in determining the band structure around the conduction-band minimum. Under certain types of short-range orders, the tight-binding model universally leads to a dispersion relation which corresponds to that of the massive Dirac particle. The impact of the graphenelike band structure is demonstrated by evaluating the electron mobility of highly doped n-type ZnO.
منابع مشابه
Supplementary Materials for ”Microscopic Origin of Universal Quasi-Linear Band Structures of Transparent Conducting Oxides”
This supplementary information consists of the following 3 sections: 1. Pseudo-band structure of amophous In2ZnO4 2. Maximally Localized Wannier Functions of ZnO 3. Comparison of tight-binding results and first-principles calculations in the multicomponent and amorphous TCOs PACS numbers: 71.20.Nr, 31.15.aq, 71.23.Cq, 72.20.-i ∗ [email protected] † [email protected]
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عنوان ژورنال:
- Physical review letters
دوره 108 19 شماره
صفحات -
تاریخ انتشار 2012