Inhomogeneous dynamical mean-field theory of the small polaron problem

Kevin-Davis Richler (1) , Simone Fratini (2) , Sergio Ciuchi (3) , Didier Mayou (1)

1 NEEL - OPTIMA - Optique et Matériaux
2 NEEL - TMC - Théorie de la Matière Condensée
3 Dipartimento di Fisica [L'Aquila]

We present an inhomogeneous dynamical mean field theory (I-DMFT) that is suitable to investigate electron-lattice interactions in non-translationally invariant and/or inhomogeneous systems. The presented approach, whose only assumption is that of a local, site-dependent self-energy, recovers both the exact solution of an electron for a generic random tight-binding Hamiltonian in the non-interacting limit and the DMFT solution for the small polaron problem in translationally invariant systems. To illustrate its full capabilities, we use I-DMFT to study the effects of defects embedded on a two-dimensional surface. The computed maps of the local density of states reveal Friedel oscillations, whose periodicity is determined by the polaron mass. This can be of direct relevance for the interpretation of scanning-tunneling microscopy (STM) experiments on systems with sizable electron-lattice interactions. Overall, the easy numerical implementation of the method, yet full self-consistency, allows one to study problems in real-space that were previously difficult to access.

Domaines: Physique [physics]; Matière Condensée [cond-mat]; Electrons fortement corrélés [cond-mat.str-el]

Kevin-Davis Richler, Simone Fratini, Sergio Ciuchi, Didier Mayou. Inhomogeneous dynamical mean-field theory of the small polaron problem. Journal of Physics: Condensed Matter, 2018, 30 (46), pp.465902. ⟨10.1088/1361-648X/aae619⟩. ⟨hal-01907872⟩