形状和原子数对铟纳米晶热力学性质的影响

在纳米晶表面和体内原子数与形状的关系以及德拜温度和超导转变温度的计算公式基础上，以铟纳米晶为例，研究了形状、原子数对纳米晶的德拜温度和超导转变温度影响．结果表明：纳米晶会出现所谓双向微结构现象，即扁平状和细杆状的直角形纳米晶有相同的原子配位数和热力学性质；纳米晶的德拜温度与原子相互作用势和形状有关．它随温度的变化与块状晶体有相同的变化趋势，但取最小值的温度比块状晶体的值要低；在直角形纳米晶中，以立方形的德拜温度为最低；原子数较少时，铟纳米晶的超导转变温度随原子数的增多而升高，立方形超导转变温度高于扁平状和细杆状的值；而原子数较大时，情况相反．如将纳米晶原子数（线度）减小到一定值时，将纳米晶制成立方形会提高超导转变温度．

The Influence of Shape and Atomicity on the Thermodynamics of Nanocrystal Indium

Based on the relation of the surface and inner atomicity of nanocrystal and the shape,and the formula of Debye temperature and superconducting transition temperature.Taking indium nanocrystal as an example,the influences of the shape and atomicity on the Debye temperature and superconducting transition temperature of nanocrystal have been studied. Results show that: the nanocrystal will have duplex microstructure phenomenon.Namely,the flat and thin-pole right-angle nanocrystal have the same atomic coordinat...