By Kugler, Sándor; Shimakawa, Koichi
Explains easy methods to use desktop modelling to appreciate amorphous semiconductors for researchers in stable kingdom physics and semiconductor engineering.
summary: Explains how one can use desktop modelling to appreciate amorphous semiconductors for researchers in reliable kingdom physics and semiconductor engineering
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Electrochem. , 116, 77–81. E. G. (1975) Substitutional doping of amorphous silicon. , 17, 1193–1196. , Blech, I. W. (1984) Metallic phase with 4 5 6 7 8 9 10 long‐range orientational order and no translational symmetry. Phys. Rev. , 53, 1951–1953. A. (1991) Hydrogenated Amorphous Silicon, Cambridge University Press. , and Kugler, S. (2010). On photoinduced volume change in amorphous selenium: Quantum chemical calculation and Raman spectroscopy. J. Appl. , 107, 073517‐1‐5. C. (1979) Structural interpretation of the vibrational spectra of a‐Si: H alloys.
This term prevents large deviations from the canonical value of the bond angle. Note that RMC simulations do not take account of the energy. The existence of angles smaller than 90° or 60° is in harmony with the CSD too. 9 Pair correlation function for Model 3 of a‐Si obtained by RMC simulation. Source: S. Kugler et al. 1993 . Reproduced with permission from the American Physical Society. 10 Pair correlation function of a‐Si obtained by Fourier transformation of measured S(Q). Source: S. Kugler et al.
The networks prepared using the models have a significant number of squares. 13. Most of the theoretical models for a‐Si do not contain such structural components. This seems to be an important result, although a neutron diffraction measurement carried out on a pure evaporated a‐Si sample and evaluated using the reverse MC method had already reached a similar conclusion. Later on, the simulation was repeated using another tight‐binding model  and again similar conclusions were obtained. 9 a‐Si:H Model Construction by Molecular Dynamics Simulation There are many models for pure a‐Si but only a few models can be found for the electronically more important a‐Si:H in the literature.