Affiliation:
1. State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metal, Department of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou 730050, P. R. China
Abstract
In this paper, the microscopic electronic structure and related optical properties of the 4H-SiC (111) surface doped with B, Al, Ga elements are explored by first principles calculation methods. Compared with Al- and Ga-doped systems, the formation energy of B-doped system is found to be very small, showing excellent stability. The bandgaps of doped system decrease obviously, and an indirect bandgap is observed in all the systems. Charge density difference maps show that the covalency is increased after B doping and the iconicity is increased after Al and Ga doping. Moreover, due to the sharp increase in static dielectric constant and dielectric loss, the B-doped system can be used as the candidate for absorbing materials. In addition, the increase in the peak value of the absorption and reflectivity makes the doped systems more promising in the development of solar cells.
Funder
National Natural Science Foundation of China
Shenyang National Laboratory for Materials Science and State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals
Publisher
World Scientific Pub Co Pte Lt
Subject
Condensed Matter Physics,Statistical and Nonlinear Physics
Cited by
1 articles.
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