Dangling bonds in doped amorphous silicon: Equilibrium, relaxation, and transition energies

Journal Article · Wed Mar 15 04:00:00 EST 1989 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.39.5107· OSTI ID:6418095

Branz, H M

The phenomenology of the dangling-bond defect in doped hydrogenated amorphous silicon (a-Si:H) is analyzed in a thermodynamic equilibrium framework with use of positive correlation energy and defect relaxation energies taken from previous theoretical calculations. Good agreement is obtained between theoretical predictions and the optical absorption, luminescence, and deep-level transient spectroscopy energies from the experimental literature. Because the charge and hybridization of the dangling bond in doped a-Si:H are known, considerable information about dangling-bond energy levels and relaxations in a-Si:H is obtained. The controversy over an anomaly of about 0.9 eV in the sum of n-type and p-type films' optical-absorption-peak energies is largely resolved by recognizing that the optical transitions are vertical. A small residual anomaly is taken as evidence for a small (approx.0.2 eV) electronic-level deepening caused by dopant-defect pairing or potential fluctuations. Comparison of defect optical and luminescence energies suggests Stokes shifts of 0.3 and 0.4 eV for the dangling-bond levels of n-type and p-type a-Si:H, respectively.

• Research Organization: Solar Energy Research Institute, 1617 Cole Boulevard, Golden, Colorado 80401
• OSTI ID: 6418095
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:8; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360603* -- Materials-- Properties
ABSORPTION SPECTRA
AMORPHOUS STATE
BAND THEORY
CHEMICAL BONDS
ELEMENTS
ENERGY-LEVEL TRANSITIONS
HYBRIDIZATION
HYDROGEN ADDITIONS
LUMINESCENCE
SEMIMETALS
SILICON
SPECTRA