期刊
PHYSICAL REVIEW B
卷 62, 期 3, 页码 1706-1712出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.62.1706
关键词
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We report numerical calculations of the frequency-dependent second-order optical susceptibility for different polytypes of silicon carbide. The atomic and electronic structures are taken from first-principles calculations. We combine the plane-wave-pseudopotential method with the generalized tetrahedron method to compute the second-order coefficients. The influence of crystal structure as well as of many-body effects due to quasiparticle corrections is discussed in detail. Full frequency dependent spectra are calculated including quasiparticle corrections beyond scissors operator approximation.
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