5 papers
Ab initio quantum embedding description of magic angle twisted bilayer graphene at even-integer fillings
Raehyun Kim, Woochang Kim, Kevin D. Stubbs +2
Magic angle twisted bilayer graphene (MATBG) hosts narrow moiré bands with meV-scale energy splittings, making its correlated phases sensitive to both material parameters and model…
Ferromagnetic Insulator to Metal Transition in Non-Centrosymmetric Graphene Nanoribbons
Aidan P. Delgado, Michael C. Daugherty, Weichen Tang +2
Engineering sublattice imbalance within the unit cell of bottom-up synthesized graphene nanoribbons (GNRs) represents a versatile tool for realizing custom-tailored quantum nanomat…
Engineering phase-frustration induced flat bands in an aza-triangulene covalent Kagome lattice
Yuyi Yan, Fujia Liu, Weichen Tang +4
Pi-conjugated covalent organic frameworks (COFs) provide a versatile platform for the realization of designer quantum nanomaterials. Strong electron-electron correlation within the…
Jahn-Teller-like Distortion in a One-dimensional π-Conjugated Polymer
Ziyi Wang, Boyu Qie, Weichen Tang +8
Structurally distorting low-dimensional π-conjugated systems can profoundly influence their electronic properties, but controlling such behavior in extended-width systems remains c…
Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides with experiment and theory
Sara Barja, Sivan Refaely-Abramson, Bruno Schuler +17
Chalcogen vacancies are considered to be the most abundant point defects in two-dimensional (2D) transition-metal dichalcogenide (TMD) semiconductors, and predicted to result in de…