Impurity-defect complexes in hydrogenated amorphous silicon

Conference · Thu Nov 01 00:00:00 EST 1990

OSTI ID:6334634

Yang, L H ^[1]; Fong, C Y ^[2]; Nichols, C S ^[3]

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1. Argonne National Lab., IL (USA)
2. California Univ., Davis, CA (USA). Dept. of Physics
3. Cornell Univ., Ithaca, NY (USA). Dept. of Materials Science and Engineering

The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H) -- a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping -- have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using first-principles self-consistent pseudopotential calculation in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results, we have studied the electronic and structural properties of substitutional fourfold-coordinated phosphorus and boron at the second neighbor position to a dangling bond defect. We demonstrate that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H. 16 refs., 2 figs., 1 tab.

• Research Organization: Argonne National Lab., IL (USA)
• Sponsoring Organization: DOE/ER
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6334634
• Report Number(s): CONF-901105-82; ON: DE91006765
• Resource Relation: Conference: Fall meeting of the Materials Research Society, Boston, MA (USA), 24 Nov - 1 Dec 1990
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
74 ATOMIC AND MOLECULAR PHYSICS
BORON
ELECTRONIC STRUCTURE
PHOSPHORUS
SILANES
CHEMICAL BONDS
AMORPHOUS STATE
DOPED MATERIALS
ENERGY LEVELS
IMPURITIES
ELEMENTS
HYDRIDES
HYDROGEN COMPOUNDS
MATERIALS
NONMETALS
ORGANIC COMPOUNDS
ORGANIC SILICON COMPOUNDS
SEMIMETALS
SILICON COMPOUNDS
360204* - Ceramics
Cermets
& Refractories- Physical Properties
640302 - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory