Related papers: Electronic Structure of Chromium Trihalides beyond…
In this study, we present an effective tight-binding model for an accurate description of the lowest energy quadruplet of conduction band in a ferromagnetic CrX$_3$ monolayer, tuned to the complementary \textit{ab initio} density functional…
Electronic structure of layered van der Waals ferromagnet CrI$_{3}$ is studied with self consistent diagrammatic approaches beyond GW approximation. Considerable improvement in the calculated band gap as compared to the non-self-consistent…
We present the electronic and magnetic structure calculations of VCl3, VBr3, CrCl3 and CrBr3. The results are obtained by density functional theory with plane wave basis sets. The trihalides generally optimize either in trigonal or…
Chromium trihalides (CrX$_3$, with $\rm{X=I,Br,Cl}$) are layered ferromagnetic materials with rich physics and possible applications. Their structure consists of magnetic Cr atoms positioned between two layers of halide atoms. The choice of…
Chromium triiodide is an intrinsically magnetic van der Waals material down to the single-layer limit. Here, we provide a first-principles description of finite-temperature magnetic and spectral properties of monolayer (ML) CrI$_3$ based on…
Although chromium trihalides are widely regarded as a promising class of two-dimensional magnets for next-generation devices, an accurate description of their electronic structure and magnetic interactions has proven challenging to achieve.…
Chromium trihalides, CrX$_3$ (with X = Cl, Br, I), are a family of layered magnetic materials that can be easily exfoliated to provide ferromagnetic monolayers. When two layers are stacked together to form a bilayer the interlayer exchange…
The interplay between non-trivial topology and strong electron interaction can generate a variety of exotic quantum matter. Here we theoretically propose that monolayer transition metal trihalides MoF$_3$ and W$X_3$ ($X$= Cl, Br, I) have…
We study the quasiparticle band structure of isolated, infinite HF and HCl bent (zigzag) chains and examine the effect of the crystal field on the energy levels of the constituent monomers. The chains are one of the simplest but realistic…
A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and…
Bilayer antiferromagnets CrX$_{3}$ (X $=$ Cl, Br, and I) are promising materials for spintronics and optoelectronics that are rooted in their peculiar electronic structures. However, their bands are often hybridized from the interlayer…
In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bethe-Salpeter equation (BSE) formalism to investigate…
We report experimental investigations of transport through bilayer graphene (BLG)/chromium trihalide (CrX$_3$; X=Cl, Br, I) van der Waals interfaces. In all cases, a large charge transfer from BLG to CrX$_3$ takes place (reaching densities…
Layered van der Waals (vdW) magnetic materials have attracted significant research interest to date. In this work, we employ the first-principles many-body perturbation theory to calculate excited-state properties of a prototype vdW magnet,…
We conduct a comprehensive study of three different magnetic semiconductors, CrI$_3$, CrBr$_3$, and CrCl$_3$, by incorporating both few- and bi-layer samples in van der Waals tunnel junctions. We find that the interlayer magnetic ordering,…
We investigate the electronic structure of the flat bands induced by moir\'e superlattices and electric fields in nearly aligned ABC trilayer graphene-boron nitride interfaces where Coulomb effects can lead to correlated gapped phases. Our…
We study the symmetries of twisted trilayer graphene's band structure under various extrinsic perturbations, and analyze the role of long-range electron-electron interactions near the first magic angle. The electronic structure is modified…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…
In recent times, trilayer graphene has attracted wide attention owing to its stacking and electric field dependent electronic properties. However, a direct and well-resolved experimental visualization of its band structure has not yet been…
Monolayer Chromium Dihalides and Trihalides materials can be grown on a variety of substrates by molecular beam epitaxy regardless of the lattice mismatch thanks to the van der Waals epitaxy. In this work, we studied the magnetic nature of…