| e perform the first full bandstructure calculations of the frequency dependent dielectric functions and second harmonic generation (SHG) coefficients of the strained ;The calculations are carried out within the framework of a minimal basis linear combination of Gaussian orbitals technique, in conjunction with the ;Our calculations of the SHG in bulk materials are not only more fundamental than other full bandstructure calculations (D. J. Moss, J. E. Sipe, and H. M. van Driel, Phys. Rev. B 36, 9708 (1987); C. Y. Fong and Y. R. Shen, Phys. Rev. B 12, 2325 (1975)) but also our results are in much better agreement with experimental measurements (B. F. Levine and C. G. Bethea, Appl. Phys. Lett. 20, 272 (1972)).;We find that the expected anisotropy in the dielectric function of the strained ;Our results for the... |
