Related papers: A generalized framework for straintronics in 2D qu…
We compute the energy spectrum of a nearest-neighbor electron hopping model for bi-layer graphene at commensurate twist angles. Specifically, we focus on the simplest bi-layer lattices, with moire patterns that have no subcells. The…
We recently proposed quantum simulators of "twistronic-like" physics based on ultracold atoms and syntheticdimensions [Phys. Rev. Lett. 125, 030504 (2020)]. Conceptually, the scheme is based on the idea that aphysical monolayer optical…
This review article provides a bird's-eye view of what first-principles based methods can contribute to next-generation device design and simulation. After a brief overview of methods and capabilities in the area, we focus on published work…
The ability to manipulate two-dimensional (2D) electrons with external electric fields provides a route to synthetic band engineering. By imposing artificially designed and spatially periodic superlattice (SL) potentials, 2D electronic…
Twisted bilayer graphene (TBG) exhibits a wide range of intriguing physical properties, such as superconductivity, ferromagnetism, and superlubricity. Depending on the twist angle, periodic moir\'e superlattices form in twisted bilayer…
We study the effects of heterostrain on moir\'e bands in twisted bilayer graphene and bilayer transition metal dichalcogenide (TMD) systems. For bilayer graphene with twist angle near $1^\circ$, we show that heterostrain significantly…
Twisted and rope-like assemblies of filamentous molecules are common and vital structural elements in cells and tissue of living organisms. We study the intrinsic frustration occurring in these materials between the two-dimensional…
The recent emergence of strain gradient engineering directly affects the nanomechanics, optoelectronics and thermal transport fields in 2D materials. More specifically, large suspended graphene under very high stress represents the…
In the context of real-space renormalization group methods, we propose a novel scheme for quantum systems defined on a D-dimensional lattice. It is based on a coarse-graining transformation that attempts to reduce the amount of entanglement…
If we stack up two layers of graphene while changing their respective orientation by some twisting angle, we end up with a system that has striking differences when compared to single-layer graphene. For a very specific value of this twist…
We present efficient angle-dependent low-energy Hamiltonians to describe the properties of the twisted bilayer graphene (tBLG) heterostructure, based on {\it ab initio} calculations of mechanical relxation and electronic structure. The…
By means of atomistic tight-binding calculations, we investigate the transport properties of vertical devices made of two incommensurately misoriented graphene layers. With a chosen transport direction (Ox-axis), we define two classes of…
The observation of flat energy bands in transition metal dichalcogenide bilayers such as twisted WSe${}_2$ makes those materials interesting prospects for reproducing the behavior observed in graphene-based systems. We use an effective…
We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is…
Bilayers of two-dimensional materials twisted at specific angles can exhibit exceptional properties such as the occurrence of unconventional superconductivity in twisted graphene. We demonstrate here that novel phenomena in twisted…
Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation…
A state sum construction on closed manifolds \'{a} la Kuperberg can be used to construct the partition functions of $3D$ lattice gauge theories based on involutory Hopf algebras, $\mathcal{A}$, of which the group algebras, $\mathbb{C}G$,…
Interlayer sliding, together with twist angle, is a crucial parameter that defines the atomic registry and thus determines the properties of two-dimensional (2D) material homobilayers. Here, we theoretically demonstrate that controlled…
Proximity effects resulting from depositing a graphene layer on a TMD substrate layer change the dynamics of the electronic states in graphene, inducing spin orbit coupling (SOC) and staggered potential effects. An effective Hamiltonian…
Lattice models are powerful tools for studying strongly correlated quantum many-body systems, but their general lack of exact solutions motivates efforts to simulate them in tunable platforms. Recently, a promising new candidate has emerged…