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We use first principle DFT-based microscopic many-body models to investigate essential electro-optical properties of bulk tellurium. Absorption/gain and spontaneous emission spectra are calculated using the semiconductor Bloch and luminescence equations. High harmonic generation due to off-resonant excitation and its propagation dependence are studied by coupling the microscopic models to a pulse propagator. Limitations due to intrinsic carrier losses via radiative- and Auger-recombination processes are determined solving quantum-Boltzmann type scattering equations. The strong directional- as well as density- and temperature-dependence of the properties is demonstrated.
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Jörg Hader, Sven C. Liebscher, Jerome V. Moloney, Stephan W. Koch, "Microscopic analysis of linear and nonlinear electro-optical properties of tellurium," Proc. SPIE 12405, Nonlinear Frequency Generation and Conversion: Materials and Devices XXII, 124050D (14 March 2023); https://doi.org/10.1117/12.2655725