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Energy band structure calculations based on screened Hartree-Fock exchange method: Si, AlP, AlAs, GaP, and GaAs.
Shimazaki T, Asai Y. Shimazaki T, et al. J Chem Phys. 2010 Jun 14;132(22):224105. doi: 10.1063/1.3431293. J Chem Phys. 2010. PMID: 20550388
We demonstrated that this approach can be used to reproduce the energy band structure of diamond well [T. Shimazaki and Y. Asai, J. Chem. Phys. 130, 164702 (2009)]. In the present paper, we report that the screened HF exchange method is applicable to other semicondu …
We demonstrated that this approach can be used to reproduce the energy band structure of diamond well [T. Shimazaki and Y. Asa …
Theoretical study on the cooperative exciton dissociation process based on dimensional and hot charge-transfer state effects in an organic photocell.
Shimazaki T, Nakajima T. Shimazaki T, et al. J Chem Phys. 2016 Jun 21;144(23):234906. doi: 10.1063/1.4953905. J Chem Phys. 2016. PMID: 27334193
In our previous study, we introduced a local temperature to handle the hot charge-transfer (CT) state and calculated the exciton dissociation probability based on the 1D organic semiconductor model [T. Shimazaki and T. Nakajima, Phys. Chem. Chem. Phys. 17, 12 …
In our previous study, we introduced a local temperature to handle the hot charge-transfer (CT) state and calculated the exciton dissociatio …
371 results