TY - JOUR
T1 - A Monte Carlo simulation describing melting transition of Si-type structure in the condensed phase with BCC lattice model including many-body interactions
AU - Sahara, R.
AU - Mizuseki, H.
AU - Ohno, K.
AU - Uda, S.
AU - Fukuda, T.
AU - Kawazoe, Yoshiyuki
PY - 1997/12/1
Y1 - 1997/12/1
N2 - A new lattice model is proposed for Si crystallization from molten state, which is based on Monte Carlo (MC) simulation. In this model, each atom is allowed to move only on BCC lattice sites, and the potential energy of atom depends on the configuration in the 1st nearest neighbors. With the parameter that only the atoms constructing tetrahedron have lower energy than others, the 1st-order phase transition between diamond and random structures is observed, including a hysteresis behavior. On the other hand, with using a parameter set which is defined as a function of the number of the 1st nearest neighbors and the bond angles, which is determined by using genetic algorithm, the state is continuously changed with temperature.
AB - A new lattice model is proposed for Si crystallization from molten state, which is based on Monte Carlo (MC) simulation. In this model, each atom is allowed to move only on BCC lattice sites, and the potential energy of atom depends on the configuration in the 1st nearest neighbors. With the parameter that only the atoms constructing tetrahedron have lower energy than others, the 1st-order phase transition between diamond and random structures is observed, including a hysteresis behavior. On the other hand, with using a parameter set which is defined as a function of the number of the 1st nearest neighbors and the bond angles, which is determined by using genetic algorithm, the state is continuously changed with temperature.
KW - 1st-order phase transition
KW - Crystal growth
KW - Genetic algorithm
KW - Lattice model
KW - Monte Carlo simulation
KW - Silicon
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M3 - Article
AN - SCOPUS:33751226621
SN - 0040-8808
VL - 43
SP - 23
EP - 28
JO - Science Reports of the Rerearch Institutes Tohoku University Series A-Physics
JF - Science Reports of the Rerearch Institutes Tohoku University Series A-Physics
IS - 1
ER -