Strong correlation effect on the Seebeck coefficient from Density Functional Theory*

Density Functional Theory (DFT) has become the standard for transport calculations due to its simplicity and widespread implementations. It has been shown that the theory fails, especially when dealing with strongly correlated systems. The standard approximations associated with the theory are the culprit for most of these failures, but we should also realize that static DFT should not deal with transport probelms. In this talk, we will discuss how to build a DFT theory that is able to describe strongly correlated effects [1]. In particular, we will discuss the correction for the Seebeck coefficient in the Coulomb blockade regime in a quantum dot in linear response [2]. We will show how the theory can compare with experiments and outline future research lines to extend the methods beyond linear response.
[1] S. Kurth and G. Stefanucci, Phys. Rev. Lett. 111, 030601 (2013).
[2] K. Yang, E. Perfetto, S. Kurth, G. Stefanucci, and R. D'Agosta, Phys. Rev. B 94, 081410 (2016).