论文标题
绝缘子的紧密结合模型中的点缺陷
Point Defects in Tight Binding Models for Insulators
论文作者
论文摘要
我们认为在点缺陷的线性紧密结合模型的背景下，我们考虑了原子的几何弛豫。将限制模型作为费米温度发送至零，并制定了核构型的收敛速率。我们还以零费米温度制定热力学极限模型，扩展了[H. Chen，J。Lu，C。Ortner。拱。配给。机械。肛门，2018]。我们讨论在有限的费米温度模型中服用零温度和热力学限制之间的非平凡关系。
We consider atomistic geometry relaxation in the context of linear tight binding models for point defects. A limiting model as Fermi-temperature is sent to zero is formulated, and an exponential rate of convergence for the nuclei configuration is established. We also formulate the thermodynamic limit model at zero Fermi-temperature, extending the results of [H. Chen, J. Lu, C. Ortner. Arch. Ration. Mech. Anal., 2018]. We discuss the non-trivial relationship between taking zero temperature and thermodynamic limits in the finite Fermi-temperature models.
