【摘 要】
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Based on cluster variation method (CVM) and natural iteration method (NIM), order-disorde phase transition inthe intercalation compounds M_(1/2)TiS_2 is simula
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Based on cluster variation method (CVM) and natural iteration method (NIM), order-disorde phase transition inthe intercalation compounds M_(1/2)TiS_2 is simulated by computer. The favorble conditions, under which 3a_0~(1/2)×a_0 super-structure is formed, are given, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.
Based on the cluster variation method (CVM) and natural iteration method (NIM), order-disorde phase transition inthe intercalation compound M_ (1/2) TiS_2 is simulated by computer. a_0 super-structure is formed, are given, and the results are in good agreement with the experiments and theoretical calculations. Therelationship between critical temperature and M-ion-vacancy interaction parameter is linear.
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