Overview of spectroscopies I (MC) - TDDFT.org
Overview of spectroscopies I (MC) - TDDFT.org
Overview of spectroscopies I (MC) - TDDFT.org
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GermaniumPseudopotential band structure <strong>of</strong>gerrmanium including spin-orbitinteraction (0.2 eV for EDielectric function <strong>of</strong> germanium1, E 1+ Δ 1)obtained from reflectivity spectrum Fundamentals <strong>of</strong> Semiconductors,by Kramers-Kronig analysis, at 300K Yu+CardonaPhilipp and Taft Phys Rev 113 1001 (1959)E 1transitions should be spin-orbit split butNot enough resolutionExperimental discovery<strong>of</strong> spin-orbit splitting <strong>of</strong>E 1gapTauc and AntončikPRL 5 253 1960Spin-orbit splittings have played a very important role in the interpretation <strong>of</strong> themeasured optical spectra in the visible and eV. Most state <strong>of</strong> the art codesto perform such calculations do not include it. They also assume that the atomsare at fixed lattice positions and neglect thermal vibrations, including zero-pointqm vibrational effects.2
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