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Electronic structures of phosphorus-doped diamond films and impacts of their vacancies

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Abstract

In order to better understand the bonding mechanisms of the phosphorus-doped diamond films and the influences of the phosphorus-doped concentration on the diamond lattice integrity and conductivity, we calculate the electronic structures of the phosphorus-doped diamond with different phosphorus concentrations and the density of states in the phosphorus—doped diamond films with a vacant lattice site by the first principle method. The calculation results show the phosphorus atom only affects the bonds of a few atoms in its vicinity, and the conductivity increases as the doped concentration increases. Also in the diamond lattice with a total number of 64 atoms and introducing a vacancy into the non-nearest neighbor lattice site of a phosphorus atom, we have found that both the injuries of the phosphorus-doped diamond films and the N-type electron conductivity of diamond films could be improved.

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Authors and Affiliations

  1. Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou, 510006, China

    GangWen Wang & QingYi Shao

  2. Department of Physics, Zhangzhou Normal University, Zhangzhou, 363000, China

    QingYi Shao

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  1. GangWen Wang
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  2. QingYi Shao
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Correspondence to QingYi Shao.

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Wang, G., Shao, Q. Electronic structures of phosphorus-doped diamond films and impacts of their vacancies. Sci. China Phys. Mech. Astron. 53, 1248–1254 (2010). https://doi.org/10.1007/s11433-010-4003-4

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  • DOI: https://doi.org/10.1007/s11433-010-4003-4

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