工作职能
热离子发射
材料科学
异质结
工作(物理)
表面能
纳米技术
数码产品
工程物理
钙钛矿(结构)
接口(物质)
氧化物
功能(生物学)
计算机科学
电子
光电子学
物理
化学
物理化学
热力学
复合材料
结晶学
图层(电子)
毛细管作用
冶金
毛细管数
量子力学
进化生物学
生物
作者
Zhicheng Zhong,P. Hansmann
出处
期刊:Physical review
日期:2016-06-08
卷期号:93 (23)
被引量:53
标识
DOI:10.1103/physrevb.93.235116
摘要
The development of novel functional materials in experimental labs combined with computer-based compound simulation brings the vision of materials design on a microscopic scale continuously closer to reality. For many applications interface and surface phenomena rather than bulk properties are key. One of the most fundamental qualities of a material-vacuum interface is the energy required to transfer an electron across this boundary, i.e. the work function. It is a crucial parameter for numerous applications, including organic electronics, field electron emitters, and thermionic energy converters. Being generally very resistant to degradation at high temperatures, transition metal oxides present a promising materials class for such devices. We have performed a systematic study for perovskite oxides that provides reference values and, equally important, reports on materials trends and the tunability of work functions. Our results identify and classify dependencies of the work function on several parameters including specific surface termination, surface reconstructions, oxygen vacancies, and heterostructuring.
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