9 papers
Fine-Tuned Machine-Learned Interatomic Potentials for Structural and Vibrational Properties of Twisted 2D Materials
Viet-Anh Tran, Viet-Hung Nguyen, Wei Chen +2
Twisted van der Waals bilayers form moiré superlattices whose structural and vibrational properties are highly sensitive to variations in local stacking registry and the degree of…
Ab initio study of magnetism in pristine and defective MnBi2Te4
Ana Beatriz Pedro Fontes, Jiaqi Zhou, Simon M. -M. Dubois +1
The magnetic material MnBi2Te4 (MBT) has garnered significant attention due to its unique combination of long-range antiferromagnetism and nontrivial topological electronic propert…
Disorder-driven symmetry suppression by van der Waals planar defects in a magnetic topological insulator
Rikkie Joris, Heyi Xia, Ana Beatriz Pedro Fontes +15
Magnetic topological insulators offer a platform to control electronic topology through magnetic order, yet reliable routes to tune their properties remain limited. Here, we show t…
Mapping the twist angle dependence of quasi-Brillouin zones in doubly aligned graphene/BN heterostructures
Jorge Vallejo Bustamante, Viet-Hung Nguyen, Liam S. Farrar +5
When monolayer graphene is crystallographically aligned to hexagonal boron nitride (BN), a moiré superlattice is formed, producing characteristic satellite Dirac peaks in the elec…
Proximity Effects Between the Graphene Quasicrystal and Magic-Angle Twisted Bilayer Graphene
Pedro Alcázar Guerrero, Viet-Hung Nguyen, Aron W. Cummings +2
We present a numerical study of three-layer graphene heterostructures in which the layers are twisted by the magic angle (1.1) or by to form a graphe…
Importance of Non-Adiabatic Effects on Kohn Anomalies in 1D metals
Enrico Marazzi, Samuel Poncé, Jean-Christophe Charlier +1
Kohn anomalies are kinks or dips in phonon dispersions which are pronounced in low-dimensional materials. We investigate the effects of non-adiabatic phonon self-energy on Kohn ano…