层状材料中一个简单晶格模型的比热计算

CALCULATION OF LATTICE HEAT CAPACITY OF LAYERED MATERIAL BASED ON A SIMPLE MODEL

本文采用Born势和简单立方结构计算了层状材料的晶格比热。发现当层伏材料层厚较小时(约在十几层以内),界面态对晶格比热有明显影响。但随层厚增大,比热下降,且基本与界面态及层厚无关。文中还比较了准周期超晶格与周期超晶格两者的晶格比热。

We calculate the lattice heat capacity of layered material based on a simple model with cubic structure and Born potential. It is shown that interface states affect the lattice capacity obviously when the thickness of layer is relatively small (less than several tens of single la-years). With the increasing of thickness of the layer, the lattice capacity decreses and is nearly independent of interface states and the thickness of the layer. We also give a comparison of the lattice capacity of aperiodic superlattice with that of periodic superlattice.