Bonding and doping of simple icosahedral-boride semiconductors |
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| Institution: | 1. Institute of Advanced Materials, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055, People’s Republic of China;2. Collaborative Innovation Center of Quantum Matter, Tsinghua University, Beijing 100084, People’s Republic of China;1. Institute of Physics and Applied Physics, Yonsei University, Seoul 03722, Republic of Korea;2. Advanced Analysis Center, Korea Institute of Science and Technology, Seoul 02792, Republic of Korea;3. Process Development Team, Semiconductor R&D Center, SAMSUNG, Hwaseong-si 18448, Republic of Korea;1. School of Materials Science and Engineering, Shenyang University of Technology, Shenyang 110870, China;2. School of Science, Shenyang University of Technology, Shenyang 110870, China;1. School of Chemistry and Materials Science of Shanxi Normal University & Key Laboratory of Magnetic Molecules and Magnetic Information Materials of Ministry of Education, Linfen, 041004, China;2. Research Institute of Materials Science of Shanxi Normal University & Collaborative Innovation Center for Shanxi Advanced Permanent Magnetic Materials and Technology, Linfen, 041004, China |
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| Abstract: | A simple model of the bonding and doping of a series of icosahedral-boride insulators is presented. Icosahedral borides contain clusters of boron atoms that occupy the 12 vertices of icosahedra. This particular series of icosahedral borides share both the stoichiometry B12X2, where X denotes a group V element (P or As), and a common lattice structure. The inter-icosahedral bonding of these icosahedral borides is contrasted with that of B12O2 and with that of α-rhombohedral boron. Knowledge of the various types of inter-icosahedral bonding is used as a basis to address effects of inter-icosahedral atomic substitutions. The inter-icosahedral bonding is maintained when an atom of a group V element is replaced with an atom of a group IV element, thereby producing a p-type dopant. However, changes of inter-icosahedral bonding occur upon replacing an atom of a group V element with an atom of a group VI element or with a vacancy. As a result, these substitutions do not produce effective n-type dopants. Moreover, partial substitution of boron atoms for atoms of group V elements generally renders these materials p-type semiconductors. |
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