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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 …
Dielectric-dependent screened Hartree-Fock exchange potential and Slater-formula with Coulomb-hole interaction for energy band structure calculations.
Shimazaki T, Nakajima T. Shimazaki T, et al. J Chem Phys. 2014 Sep 21;141(11):114109. doi: 10.1063/1.4895623. J Chem Phys. 2014. PMID: 25240347
We previously reported a screened Hartree-Fock (HF) exchange potential for energy band structure calculations [T. Shimazaki and Y. Asai, J. Chem. Phys. 130, 164702 (2009); T. Shimazaki and Y. Asai, J. ...
We previously reported a screened Hartree-Fock (HF) exchange potential for energy band structure calculations [T. Shimazaki an …
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 …
A theoretical study on hot charge-transfer states and dimensional effects of organic photocells based on an ideal diode model.
Shimazaki T, Nakajima T. Shimazaki T, et al. Phys Chem Chem Phys. 2017 May 21;19(19):12517-12526. doi: 10.1039/c7cp01455d. Epub 2017 May 4. Phys Chem Chem Phys. 2017. PMID: 28470287
We previously reported a theoretical method to calculate the efficiency of the charge separation process via a hot CT state (T. Shimazaki et al., Phys. Chem. Chem. Phys., 2015, 17, 12538 and J. Chem. Phys., 2016, 144, 234906). ...
We previously reported a theoretical method to calculate the efficiency of the charge separation process via a hot CT state (T. Sh …
372 results