Reliable methods for seamless stitching of tight-binding models based on maximally localized Wannier functions
Year: 2019
Type: article
Abstract: $A\phantom{\rule{0}{0ex}}b$ $i\phantom{\rule{0}{0ex}}n\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}t\phantom{\rule{0}{0ex}}i\phantom{\rule{0}{0ex}}o$ tight-binding models based on maximally localized Wannier functions obtained from different systems are often combined to construct tight-binding models for large-scale systems, such as a semi-infinite surface. However, the discrepancy between the corresponding Wannier functions of the difference systems in the overlapping region can introduce serious artifacts to the combined tight-binding model. Here, the authors report methods that resolve this issue and enable what the authors term ``seamless stitching'' of tight-binding models based on maximally localized Wannier functions.
Authors: Jae-Mo Lihm, Cheol-Hwan Park
Institution: Seoul National University
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funder: Seoul National University
OpenAlex ID: W2908650869