Atomic and electronic structure of CdTe/metal (Cu, Al, Pt) interfaces and their influence to the Schottky barrier

作者：Odkhuu Dorj; Miao Mao sheng; Aqariden F; Grein Christoph; Kioussis Nicholas^*

来源：Journal of Applied Physics, 2016, 120(18): 185703.

DOI：10.1063/1.4966931

Schottky barrier heights (SBHs) and other features of the interfaces are determining factors for the performance of the CdTe based high-energy photon detectors. Although known for long time that SBH is sensitive to surface treatment and metal contact growth method, there is a lack of understanding of the effect of the atomic and electronic structures of CdTe/metal interface on the SBH. Employing first-principles electronic structure calculations, we have systematically studied the structural stability and electronic properties of a number of representing structures of Cd Terminated CdTe/metal (Cu, Pt, and Al) interfaces. Comparison of the total energies of the various optimized structural configurations allows to identify the existence of Te-metal alloy formation at the interface. The SBHs of Cu, Pt, and Al metal contacts with a number of stable interface structures are determined by aligning the band edges of bulk CdTe with the Fermi level of the metal/CdTe system. We find that the metal-induced states in the gap play an essential role in determining the SBH. Published by AIP Publishing.

• 出版日期2016-11-14