Ferroelectric, quantum paraelectric, or paraelectric? Calculating the evoluti...

We present an inexpensive first-principles approach for describing quantum paraelectricity that combines density functional theory (DFT) treatment of the electronic subsystem...我们提出了一种低成本第一性原理方法，用于描述量子顺电性，该方法将电子子系统的密度泛函理论（DFT）处理与……