Calculation of second-order optical response in semiconductors

被引:248
作者
Hughes, JLP
Sipe, JE
机构
[1] Department of Physics, University of Toronto, Toronto, ON
关键词
D O I
10.1103/PhysRevB.53.10751
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a first-principles calculation of two second-order optical response functions as well as the dielectric function for GaAs and GaP. Specifically, we evaluate the dielectric function epsilon(omega) and the second-harmonic generation response coefficient chi((2))(-2 omega;omega,omega) over a large frequency range. The electronic linear electro-optic susceptibility chi((2))(-omega;omega,0) is also evaluated below the band gap. These results are based on a series of self-consistent LDA calculations using the full-potential linearized augmented plane wave method. Self-energy corrections are included at the level of the ''scissors'' approximation, which corrects for the underestimation of the local density approximation band gap and produces a change in the velocity matrix elements. The analytic expressions for the second-order response functions are free of the unphysically divergent terms at zero frequency that have previously plagued such calculations. Results for chi((2))(-omega;omega,0) are in good agreement with experiment below the band gap and those for chi((2))(-2 omega;omega,omega) are compared with experimental data where available. We note that despite the equivalence of both of these second-order response functions at zero frequency, there seems to be some discrepancy between the experimental results for these functions in this regime.
引用
收藏
页码:10751 / 10763
页数:13
相关论文
共 77 条
[1]   MODEL DIELECTRIC-CONSTANTS OF GAP, GAAS, GASB, INP, INAS, AND INSB [J].
ADACHI, S .
PHYSICAL REVIEW B, 1987, 35 (14) :7454-7463
[2]   DISPERSION OF THE LINEAR ELECTROOPTIC COEFFICIENTS IN GAAS [J].
ADACHI, S .
JOURNAL OF APPLIED PHYSICS, 1992, 72 (08) :3702-3704
[3]  
Adachi S., 1994, GaAs and Related Materials: Bulk Semiconducting and Superlattice Properties
[4]   CALCULATED OPTICAL-PROPERTIES OF SEMICONDUCTORS [J].
ALOUANI, M ;
BREY, L ;
CHRISTENSEN, NE .
PHYSICAL REVIEW B, 1988, 37 (03) :1167-1179
[5]   DIELECTRIC FUNCTIONS AND OPTICAL-PARAMETERS OF SI, GE, GAP, GAAS, GASB, INP, INAS, AND INSB FROM 1.5 TO 6.0 EV [J].
ASPNES, DE ;
STUDNA, AA .
PHYSICAL REVIEW B, 1983, 27 (02) :985-1009
[6]  
AULBUR WG, UNPUB
[7]   NONLINEAR-OPTICAL SUSCEPTIBILITIES OF SEMICONDUCTORS - RESULTS WITH A LENGTH-GAUGE ANALYSIS [J].
AVERSA, C ;
SIPE, JE .
PHYSICAL REVIEW B, 1995, 52 (20) :14636-14645
[8]   DISPERSION OF THE LINEAR ELECTRO-OPTIC COEFFICIENTS AND NON-LINEAR SUSCEPTIBILITY IN GAP [J].
BEROZASHVILI, Y ;
MAKCHAVARIANI, S ;
NATSVILISHVILI, A ;
CHIRAKADZE, A .
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 1989, 22 (05) :682-686
[9]   THE ELECTROOPTIC COEFFICIENTS OF GAAS - MEASUREMENTS AT 1.32-MU-M AND 1.52-MU-M AND STUDY OF THEIR DISPERSION BETWEEN 0.9-MU-M AND 10-MU-M [J].
BERSETH, CA ;
WUETHRICH, C ;
REINHART, FK .
JOURNAL OF APPLIED PHYSICS, 1992, 71 (06) :2821-2825
[10]   DISPERSION OF NONLINEAR OPTICAL SUSCEPTIBILITIES OF INAS, INSB, AND GAAS IN VISIBLE REGION [J].
BETHUNE, D ;
SCHMIDT, AJ ;
SHEN, YR .
PHYSICAL REVIEW B, 1975, 11 (10) :3867-3875