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在As2Se3中计算预测高热电性能,通过设计失衡缺陷

Anderson Silva Chaves1, Murilo Aguiar Silva2, Alex Antonelli3

  • 1John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA.

Physical chemistry chemical physics : PCCP
|January 16, 2024
PubMed
概括

第一原理计算显示,As2Se3中的缺陷显著影响热电性质. 降低缺陷度可以提高热电性能,达到p型材料的3和n型材料的2的优点.

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Types of Semiconductors01:20

Types of Semiconductors

Intrinsic semiconductors are highly pure materials with no impurities. At absolute zero, these semiconductors behave as perfect insulators because all the valence electrons are bound, and the conduction band is empty, disallowing electrical conduction. The Fermi level is a concept used to describe the probability of occupancy of energy levels by electrons at thermal equilibrium. In intrinsic semiconductors, the Fermi level is positioned at the midpoint of the energy gap at absolute zero. When...
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