TY - JOUR
T1 - Deep levels including lattice relaxation
T2 - First- and second-neighbor effects
AU - Myles, Charles W.
AU - Li, Wei Gang
N1 - Funding Information:
We thank the Ballistic Missile Defense Organization for a grant (Grant no. N00014-93-1-0518) through the Office of Naval Research and the State of Texas Advanced Research Program for a grant (Grant no. 003644-047), both of which partially supported this work.
PY - 2000/11
Y1 - 2000/11
N2 - The effects of lattice relaxation on the deep levels due to substitutional impurities in semiconductors are investigated using an extension of a previously developed formalism. Both first- and second-neighbor relaxation are included in the formalism. Using this method, deep level chemical trends and their trends with varying amounts of lattice relaxation are explored. For specific impurities, molecular dynamics is used to calculate the lattice relaxation around an impurity, and its effects on the deep levels are computed using a Green's function technique. The results of the application of this theory to several impurities in Si, GaAs, and GaP are presented and compared with experiment and other theories.
AB - The effects of lattice relaxation on the deep levels due to substitutional impurities in semiconductors are investigated using an extension of a previously developed formalism. Both first- and second-neighbor relaxation are included in the formalism. Using this method, deep level chemical trends and their trends with varying amounts of lattice relaxation are explored. For specific impurities, molecular dynamics is used to calculate the lattice relaxation around an impurity, and its effects on the deep levels are computed using a Green's function technique. The results of the application of this theory to several impurities in Si, GaAs, and GaP are presented and compared with experiment and other theories.
KW - A. Semiconductors
KW - D. Defects
KW - D. Electronic structure
UR - http://www.scopus.com/inward/record.url?scp=0346685389&partnerID=8YFLogxK
U2 - 10.1016/S0022-3697(00)00068-8
DO - 10.1016/S0022-3697(00)00068-8
M3 - Article
AN - SCOPUS:0346685389
SN - 0022-3697
VL - 61
SP - 1855
EP - 1864
JO - Journal of Physics and Chemistry of Solids
JF - Journal of Physics and Chemistry of Solids
IS - 11
ER -