Electronic-structure methods for twisted moiré layers

S Carr, S Fang, E Kaxiras - Nature Reviews Materials, 2020 - nature.com
When single layers of 2D materials are stacked on top of one another with a small twist in
orientation, the resulting structure often involves incommensurate moiré patterns. In these …

Orbital magnetic states in moiré graphene systems

J Liu, X Dai - Nature Reviews Physics, 2021 - nature.com
Moiré graphene systems have attracted considerable attention in the past 3 years because
they exhibit exotic phenomena including correlated insulating states, unconventional …

Observation of flat bands in twisted bilayer graphene

S Lisi, X Lu, T Benschop, TA de Jong, P Stepanov… - Nature Physics, 2021 - nature.com
Transport experiments in twisted bilayer graphene have revealed multiple superconducting
domes separated by correlated insulating states,,,–. These properties are generally …

General framework for E (3)-equivariant neural network representation of density functional theory Hamiltonian

X Gong, H Li, N Zou, R Xu, W Duan, Y Xu - Nature Communications, 2023 - nature.com
The combination of deep learning and ab initio calculation has shown great promise in
revolutionizing future scientific research, but how to design neural network models …

Tunable angle-dependent electrochemistry at twisted bilayer graphene with moiré flat bands

Y Yu, K Zhang, H Parks, M Babar, S Carr, IM Craig… - Nature …, 2022 - nature.com
Tailoring electron transfer dynamics across solid–liquid interfaces is fundamental to the
interconversion of electrical and chemical energy. Stacking atomically thin layers with a …

Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation

H Li, Z Wang, N Zou, M Ye, R Xu, X Gong… - Nature Computational …, 2022 - nature.com
The marriage of density functional theory (DFT) and deep-learning methods has the
potential to revolutionize modern computational materials science. Here we develop a deep …

Renormalization group study of hidden symmetry in twisted bilayer graphene with coulomb interactions

O Vafek, J Kang - Physical Review Letters, 2020 - APS
We develop a two stage renormalization group which connects the continuum Hamiltonian
for twisted bilayer graphene at length scales shorter than the moire superlattice period to the …

Vortexability: A unifying criterion for ideal fractional Chern insulators

PJ Ledwith, A Vishwanath, DE Parker - Physical Review B, 2023 - APS
Fractional Chern insulators realize the remarkable physics of the fractional quantum Hall
effect (FQHE) in crystalline systems with Chern bands. The lowest Landau level (LLL) is …

Correlated insulating and superconducting states in twisted bilayer graphene below the magic angle

E Codecido, Q Wang, R Koester, S Che, H Tian… - Science …, 2019 - science.org
The emergence of flat bands and correlated behaviors in “magic angle” twisted bilayer
graphene (tBLG) has sparked tremendous interest, though its many aspects are under …

Non-Abelian Dirac node braiding and near-degeneracy of correlated phases at odd integer filling in magic-angle twisted bilayer graphene

J Kang, O Vafek - Physical Review B, 2020 - APS
We use the density matrix renormalization group (DMRG) to study the correlated electron
states favored by the Coulomb interaction projected onto the narrow bands of twisted bilayer …