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Full-Text Articles in Physics
An Experimental And Theoretical Study Of Ã2A"Π–X~2A' Band System Of The Jet-Cooled Hbbr/Dbbr Free Radical, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni
An Experimental And Theoretical Study Of Ã2A"Π–X~2A' Band System Of The Jet-Cooled Hbbr/Dbbr Free Radical, Mohammed Gharaibeh, Dennis J. Clouthier, Riccardo Tarroni
Chemistry Faculty Publications
The electronic spectra of the HBBr and DBBr free radicals have been studied in depth. These species were prepared in a pulsed electric discharge jet using a precursor mixture of BBr3 vapor and H2 or D2 in high pressure argon. Transitions to the electronic excited state of the jet-cooled radicals were probed with laser-induced fluorescence and the ground state energy levels were measured from the single vibronic level emission spectra. HBBr has an extensive band system in the red which involves a linear-bent transition between the two Renner-Teller components of what would be a 2Π state …
Band Gap Engineering Via Doping: A Predictive Approach, Antonis N. Andriotis, Madhu Menon
Band Gap Engineering Via Doping: A Predictive Approach, Antonis N. Andriotis, Madhu Menon
Center for Computational Sciences Faculty Publications
We employ an extension of Harrison's theory at the tight binding level of approximation to develop a predictive approach for band gap engineering involving isovalent doping of wide band gap semiconductors. Our results indicate that reasonably accurate predictions can be achieved at qualitative as well as quantitative levels. The predictive results were checked against ab initio ones obtained at the level of DFT/SGGA + U approximation. The minor disagreements between predicted and ab initio results can be attributed to the electronic processes not incorporated in Harrison's theory. These include processes such as the conduction band anticrossing [Shan et al., …