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Showing 1 to 5 of 5 for “"Experimental Band"”.
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First principles calculations on ZnO non-equilibrium phase
… the DFT optimized structure, we calculated the band structures and band gaps for both phases. We have found an about 0.2 eV larger band gap for BN phase with all methods. A discrepancy between the lattice constant obtained from experiment and that from simulation has also been investigated. We …
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Electrical and magnetic properties of organic semiconductors: Electrical conductivity and electron spin resonance studies of semiconducting, organic, charge transfer salts.
… are regarded as bound electron-hole pairs. The experimentally determined dipolar splitting tensors are presented in Chapter III and the intensity data in Chapter IV. A large number of fine structure lines are observed in the ESR spectra of Pyridinium-TCNQ and 4-Aminopyridinium-TCNQ apart from …
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Band Engineering of Advanced Materials for Semiconductor Devices
… using the sX functional accurately reproduce the experimental band gap values, whereas GGA is more effective in describing the optical properties. The advanced sX method and the more efficient GGA + U scheme are applied to several important oxides (ZnO, CdO, SrO, and MgO) to address the …
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Fluctuations and exciton dynamics in molecular semiconductors
This work describes experimental studies of the fluctuation-dominated electronic structure of molecular semiconductors and of the exciton dynamics in the same materials. The method employed in this thesis is time- and angle-resolved photoemission spectroscopy. In the first part, the electronic …