论文标题
关于半导体和管理材料特性
On the Dopability of Semiconductors and Governing Material Properties
论文作者
论文摘要
要实用,需要掺杂半导体。有时,到几乎退化的水平,例如在热电,透明电子或电力电子等应用中。但是,许多具有有限带隙的材料根本不可吸引,而许多其他材料则表现出强烈的偏好,而在允许p-或n型掺杂,但两者兼而有之。在这项工作中,我们开发了半导体可容纳性的模型描述,并根据管理材料属性来制定设计原理。我们的方法基于应用于适当设计的(紧密结合)模型系统的半导体缺陷理论,它揭示了固有材料属性与半导体的可抑制性之间的分析关系,并阐明了先前建议的词汇和诸如绝对带边缘等先前建议的词汇的不足和不足。我们验证了我们的模型针对许多经典的二进制半导体,并讨论了其扩展到更复杂的化学物质以及大规模材料搜索中的效用。
To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics. However, many materials with finite band gaps are not dopable at all, while many others exhibit strong preference toward allowing either p- or n-type doping, but not both. In this work, we develop a model description of semiconductor dopability and formulate design principles in terms of governing materials properties. Our approach, which builds upon the semiconductor defect theory applied to a suitably devised (tight-binding) model system, reveals analytic relationships between intrinsic materials properties and the semiconductor dopability, and elucidates the role and the insufficiency of previously suggested descriptors such as the absolute band edge positions. We validate our model against a number of classic binary semiconductors and discuss its extension to more complex chemistries and the utility in large-scale material searches.