Microscopic origin of electrical compensation in arsenic-doped HgCdTe by molecular beam epitaxy : Density functional study

The understanding of the configurations of the arsenic tetramer (As t ), dimer (As d ), and singlet (As s ) is important to explain the high electrical compensation of molecular beam epitaxy (MBE) samples and the conversion to p-type behavior. In this work, the possible configurations were optimized...

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Bibliographic Details
Published in:Journal of electronic materials 2007-08, Vol.36 (8), p.890-894
Main Authors: Duan, He, Chen, Xiaoshuang, Huang, Yan, Lu, Wei
Format: Article
Language:English
Subjects:
Applied sciences
Arsenic
Chemical compounds
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Cross-disciplinary physics: materials science
rheology
Electricity
Electron states
Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures
Electronic transport phenomena in thin films and low-dimensional structures
Electronics
Exact sciences and technology
Materials science
Methods of deposition of films and coatings
film growth and epitaxy
Methods of electronic structure calculations
Molecular beam epitaxy
Molecular, atomic, ion, and chemical beam epitaxy
Optoelectronic devices
Physics
Semiconductor electronics. Microelectronics. Optoelectronics. Solid state devices
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Summary:The understanding of the configurations of the arsenic tetramer (As t ), dimer (As d ), and singlet (As s ) is important to explain the high electrical compensation of molecular beam epitaxy (MBE) samples and the conversion to p-type behavior. In this work, the possible configurations were optimized from density functional calculations for arsenic defects As n (n = 1, 2, and 4) in as-grown HgTe. According to the dominant electronic contribution to the defect formation energies, which was calculated under Te-rich conditions, the most probable configurations for As t , As d , and As s have been established. The above discussion applies to the neutral arsenic defects. A further study is necessary to consider the entropy contribution to the defect formation energy.
ISSN:0361-5235
1543-186X
DOI:10.1007/s11664-007-0123-7