The effect of a nanocrystal size and shape on the baric and temperature dependences of its properties (Review)

The problems of studying the lattice properties of a nanocrystal at various pressures and temperatures are discussed. The changes in the equation of state and baric dependences of various properties of gold during the transition from macro- to nanocrystal of cubic or rod-like shape of 306 atoms were analyzed. The following properties were considered: Debye temperature, first and second Gruneisen parameters, elastic modulus, thermal expansion coefficient, isochoric and isobaric heat capacity, specific free surface energy and its derivative by temperature, melting point. The pressure derivatives of these functions were also considered. The presented dependences are compared with the results of other authors and the problems of calculation of these properties by different methods are discussed. It was shown that at isomorphic-isothermo-isobaric reduction of a nanocrystal size the values of some properties decrease, others – increase, and there are some that can change their size dependence at change of $P$–$T$-conditions. It was shown that when the nanocrystal shape deviates from the energy-optimal shape, the size changes of the baric dependences are increase.