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The authors employ standard statistical model (i.e., canonical ensemble) to estimate defect concentration. However, when point defects appears and charge redistribution occurs, the standard Boltzmann statistical approach is not applicable especially for the system when charge transfer occurs between constituent elements (e.g., "40" structure on fcc lattice). This is because thermodynamic potential (such as internal energy or entropy) is no longer an extensive variable. Can the authors give description of how this non-extensively affects the present results based on charge transfer effects? ÕâÊÇÉó¸åÈ˸øµÄÎÊÌ⣬µ«ÊÇÎÒ²»Ã÷°×ʲôÒâ˼£¬Íû¸÷λָ½Ì£¡£¡ |
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