Electronic structures and optical properties of ZnO, SnO2 and In2O3

被引：87

作者：

Mi, YM

Odaka, H

Iwata, S

机构：

[1] Univ Tokyo, RACE, Meguro Ku, Tokyo 1538904, Japan

[2] Asahi Glass Co Ltd, Comp & Anal Technol Ctr, Kanagawa Ku, Yokohama, Kanagawa 221, Japan

来源：

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS | 1999年 / 38卷 / 6A期

关键词：

transparent conductive oxide; first-principles calculation; norm conserving pseudopotential; electronic structure; dielectric function;

D O I：

10.1143/JJAP.38.3453

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Electronic structures and optical properties of ZnO, SnO2 and In2O3 are investigated by using a first-principles calculation method based on the density functional theory. The dielectric functions dominated by electron interband transitions are analyzed in terms of the calculated electronic band structures and charge density distributions are analyzed to clarify the chemical bonding and electrical conduction characteristics. The calculated results elucidate the similarities and disparities among these materials and also provide a guideline for manufacturing optoelectronic devices with as large a transparent region as possible.

引用

页码：3453 / 3458

页数：6

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