期刊
CHEMISTRY OF MATERIALS
卷 21, 期 22, 页码 5435-5442出版社
AMER CHEMICAL SOC
DOI: 10.1021/cm902260b
关键词
-
资金
- Science Foundation Ireland [06/IN. 1/I92, 06/IN.1/I92/EC07]
- HEA
- e-INIS
- Science Foundation Ireland (SFI) [06/IN.1/I92, 06/IN.1/I92/EC07] Funding Source: Science Foundation Ireland (SFI)
Development or a p-type TCO to rival the high-performance n-type TCOs presently utilized in many applications is one of the grand challenges for materials scientists. However, most of the p-type TCOs fabricated to date have suffered from limited hole mobilities, low conductivities, and indirect band gaps. Recently, [Cu2S2][Sr3SC2O5] has been identified as a possible p-type TCO material, with improved hole mobility. In this article, we study the geometry and electronic structure Of [Cu2S2][Sr3SC2O5] using both GGA + U and HSE06, We show conclusively that [Cu2S2][Sr3SC2O5] is a direct band gap material, with a hole effective mass at the valence band maximum that indicates the potential for good p-type conductivity, consistent with the reported experimental results. These results are discussed in relation to other p-type TCO materials.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据