Year: 2019
Type: article
Abstract: We present a position operator that is compatible with periodic boundary conditions (PBCs). It is a one-body operator that can be applied in calculations of correlated materials by simply replacing the traditional position vector by the new definition. We show that it satisfies important fundamental as well as practical constraints. To illustrate the usefulness of the PBC position operator, we apply it to the localization tensor, a key quantity that is able to differentiate metallic from insulating states. In particular, we show that the localization tensor given in terms of the PBC position operator yields the correct expression in the thermodynamic limit. Moreover, we show that it correctly distinguishes between finite precursors of metals and insulators.
Language: English
Topic: Quantum many-body systems
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2901597047