WebFeb 18, 2024 · Here, we use the self-trapped hole as a benchmark to evaluate the accuracy of the theoretical defect luminescence spectra and estimate the optical properties of Mg Ga, Be Ga, Ca Ga, Cd Ga, Zn Ga, Li … WebNov 8, 1993 · This calculation was performed using both semiempirical and ab initio molecular orbital methods applied to finite clusters of atoms. The self-trapping is accompanied by a network distortion in which the two nearest-neighbor silicon atoms relax away from the self-trapped hole site along the Si-O bond directions.
The self-trapped hole and the self-trapped exciton in alkaline earth ...
WebNov 20, 2006 · The activation energies for three different hole-hopping mechanisms are calculated. It is shown that the 60° reorientations of a self-trapped hole and hopping to the nearest O-atom triangle reauire almost the same activation energy, approximately 0.9 eV, which agrees auite well with the experi-mental value for hole migration of 0.7 eV. WebOct 30, 2024 · We describe the small oxygen-type hole polarons, the self-trapping at their origin, and their trapping by trivalent dopants (Ga, Sc, In, Lu, Y, Gd, La). Strong similarities with protonic defects are observed concerning the evolution of the trapping energy with ionic radius of the dopant. manipulative etymology
Analysis of self-trapped hole mobility in alkali halides and metal ...
WebAug 28, 2024 · The self-trapped hole (STH) is more energetically favorable than the delocalized hole in the valence band. The calculated emission peak energy corresponding to the recombination of a conduction... WebSep 1, 2024 · The self-trapped hole comprises a hole localized on two adjacent fluorine ions thereby bound to each other in an F 2− molecular configuration ( Williams et al., 1976; K.S. … WebJul 1, 1972 · The self-trapped hole is stable at a sufficiently low temperature and is localized as an X~ ion, where X refers to the appropriate halogen ion. As the temperature is increased the self- trapped hole begins to diffuse from one site to another and is thus char- acterized by a temperature-dependent diffusion constant, hence a tem- perature ... manipulative gamer fanfiction