Behaviour of alkali-halide microclusters (MX) n at finite temperatures is investigated by Monte Carlo simulation for sizes n =4, 8 and 18. The occurrence of the first-order phase transitions between solid-, liquid-, and gas-like phases is indicated, and the aspect of liquid-like clusters is discussed in detail. Furthermore, the binding energy of charged alkali-halide clusters [(MX) n M] + for sizes from n =60 up to 106 is evaluated via the optimization of atomic positions; a stepwise increase of the binding energy per particle with n is found. The correlation with an experimental SIMS spectrum of [(CsI) n Cs] + is also discussed.
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Yoshifumi Sakamoto (1990) studied this question.
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