10 citations · 38 across the 17 of their papers we have counts for
17 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 +17
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 elect…
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…
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…
High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier
Spin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemen…
Impact of the angular alignment on the crystal field and intrinsic doping of bilayer graphene/BN heterostructures
L. S. Farrar, G. Maffione, V. -H. Nguyen +5
The ability to tune the energy gap in bilayer graphene makes it the perfect playground for the study of the effects of internal electric fields, such as the crystalline field, whic…
Recursive Green's functions optimized for atomistic modelling of large superlattice-based devices
Viet-Hung Nguyen, Jean-Christophe Charlier
The Green's function method is recognized to be a very powerful tool for modelling quantum transport in nanoscale electronic devices. As atomistic calculations are generally expens…
Guidelines for accurate and efficient calculations of mobilities in two-dimensional materials
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier
Emerging two-dimensional (2D) materials bring unprecedented opportunities for electronic applications. The design of high-performance devices requires an accurate prediction of car…
Thermoelectric Properties of Graphene through BN-ring Doping: A Theoretical Investigation
Laura Caputo, Viet-Hung Nguyen, Jean-Christophe Charlier
Graphene has been widely studied for various applications due to its outstanding electrical and mechanical properties. However, its potential in thermoelectric applications has bee…
Exploring Dielectric Properties in Models of Amorphous Boron Nitride
Thomas Galvani, Ali K. Hamze, Laura Caputo +8
We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-prin…
Disorder-Induced Delocalization in Magic-Angle Twisted Bilayer Graphene
Pedro Alcázar Guerrero, Viet-Hung Nguyen, Jorge Martínez Romeral +4
Flat bands in moiré systems are exciting new playgrounds for the generation and study of exotic many-body physics phenomena in low-dimensional materials. Such physics is attributed…
Klein tunneling degradation and enhanced Fabry-Pérot interference in graphene/h-BN moiré-superlattice devices
Viet-Anh Tran, Viet-Hung Nguyen, Jean-Christophe Charlier
Hexagonal boron-nitride (h-BN) provides an ideal substrate for supporting graphene devices to achieve fascinating transport properties, such as Klein tunneling, electron optics and…
Atomic scale imaging of the negative charge induced by a single vanadium dopant atom in monolayer WSe using 4D-STEM
D. Dosenovic, K. Sharma, S. Dechamps +10
There has been extensive activity exploring the doping of semiconducting two-dimensional (2D) transition metal dichalcogenides in order to tune their electronic and magnetic proper…
Enhanced Spin Hall Ratio in Two-Dimensional Semiconductors
Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier
The conversion efficiency from charge current to spin current via spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art calculations invo…
Electronic properties of twisted multilayer graphene
V. Hung Nguyen, Trinh X. Hoang, J. -C. Charlier
Twisted bilayer graphene displays many fascinating properties that can be tuned by varying the relative angle (also called twist angle) between its monolayers. As a remarkable feat…