标题： 超薄膜的量子限制理论：电子、热以及超导性质 显示英文标题

标题： Quantum confinement theory of ultra-thin films: electronic, thermal and superconducting properties

摘要： 电子设备的小型化使得厚度从几十纳米到大约1-2纳米的超薄膜在技术应用中脱颖而出。尽管这些材料在许多方面仍然具有三维特性，但传统的理论和从头算方法难以描述实验中测得的性质。特别是，标准的量子限制方法依赖于硬边界条件，忽略了界面不可避免的、普遍存在的原子尺度不规则性。最近，提出了一种统一的理论方法来处理量子限制问题，该方法能够有效地考虑界面的真实性质，并且可以与微观理论协同高效实施。对于半导体薄膜的电导率或超导薄膜的临界温度等电子性质的预测，已经成功地通过与实验数据对比进行了验证。同样的限制原理还导致了薄膜的声子态密度和热容的新规律，再次与现有的实验数据一致。 显示英文摘要

摘要： The miniaturization of electronic devices has led to the prominence, in technological applications, of ultra-thin films with a thickness ranging from a few tens of nanometers to just about 1-2 nanometers. While these materials are still effectively 3D in many respects, traditional theories as well as ab initio methods struggle to describe their properties as measured in experiments. In particular, standard approaches to quantum confinement rely on hard-wall boundary conditions, which neglect the unavoidable, ubiquitous, atomic-scale irregularities of the interface. Recently, a unified theoretical approach to quantum confinement has been proposed which is able to effectively take the real nature of the interface into account, and can efficiently be implemented in synergy with microscopic theories. Its predictions for the electronic properties such as electrical conductivity of semiconductor thin films or critical temperature of superconducting thin films, have been successfully verified in comparison with experimental data. The same confinement principles lead to new laws for the phonon density of states and for the heat capacity of thin films, again in agreement with the available experimental data.