Fleischer Karsten, Norton Emma, Mullarkey Daragh, Caffrey David, Shvets Igor V
School of Physics, Trinity College, The University of Dublin, D02PD91 Dublin 2, Ireland.
Materials (Basel). 2017 Sep 1;10(9):1019. doi: 10.3390/ma10091019.
Screening for potential new materials with experimental and theoretical methods has led to the discovery of many promising candidate materials for p-type transparent conducting oxides. It is difficult to reliably assess a good p-type transparent conducting oxide (TCO) from limited information available at an early experimental stage. In this paper we discuss the influence of sample thickness on simple transmission measurements and how the sample thickness can skew the commonly used figure of merit of TCOs and their estimated band gap. We discuss this using copper-deficient CuCrO 2 as an example, as it was already shown to be a good p-type TCO grown at low temperatures. We outline a modified figure of merit reducing thickness-dependent errors, as well as how modern ab initio screening methods can be used to augment experimental methods to assess new materials for potential applications as p-type TCOs, p-channel transparent thin film transistors, and selective contacts in solar cells.
用实验和理论方法筛选潜在的新材料,已发现了许多有前景的p型透明导电氧化物候选材料。在早期实验阶段,根据有限的可用信息很难可靠地评估一种优良的p型透明导电氧化物(TCO)。在本文中,我们讨论了样品厚度对简单透射测量的影响,以及样品厚度如何使常用的TCO品质因数及其估计的带隙产生偏差。我们以缺铜的CuCrO₂为例进行讨论,因为它已被证明是一种在低温下生长的优良p型TCO。我们概述了一种减少厚度相关误差的修正品质因数,以及如何使用现代从头算筛选方法来增强实验方法,以评估作为p型TCO、p沟道透明薄膜晶体管和太阳能电池中的选择性接触等潜在应用的新材料。