相关论文: One-dimensional half-metallic interfaces of two-di…
We consider a heterostructure of a metal and a barrier with onsite correlation at half filling using unrestricted Hartree Fock. We find that above a certain value of correlation strength in the barrier planes, the system is a Mott…
A number of electronic devices involve metal/oxide interfaces in their structure where the oxide layer plays the role of electrical insulator. As the downscaling of devices continues, the oxide thickness can spread over only a few atomic…
The electronic and the structural properties of two dimensional van der Waals metal/semiconductor heterostructures have been investigated through first-principles calculations. We have considered the recently synthesized borophene [Science…
Since the discovery of two-dimensional electron gas (2DEG) at the oxide interface of LaAlO3/SrTiO3, improving carrier mobility has become an important issue for device applications. In this paper, by using an alternate polar perovskite…
In conventional theories, topological band properties are intrinsic characteristics of the bulk material and do not depend on the choice of the reference frame. In this scenario, the principle of bulk-edge correspondence can be used to…
Unusually large spontaneous and piezoelectric fields in the III-V nitrides have led to the making of an entirely new class of two-dimensional electron gas. Fluctuation from a perfectly periodic binary structure in highly polar semiconductor…
We investigate the heat current flowing across the interface between graphene and hexagonal boron nitride (so-called white graphene) using both molecular dynamics simulation and nonequilibrium Green's function approaches. These two distinct…
The dielectric response of materials underpins electronics and photonics. Established semiconductor materials have a narrow range of dielectric susceptibility, with low-frequency values on the order of 10. Strong and variable dielectric…
Recent progress in understanding the topological properties of condensed matter has led to the discovery of time-reversal invariant topological insulators. Because of limitations imposed by nature, topologically non-trivial electronic order…
While the experimental progress on three dimensional topological insulators is rapid, the development of their two dimensional counterparts has been comparatively slow, despite their technological promise. The main reason is materials…
We investigate the ground-state phase diagram of the one-dimensional "ionic" Hubbard model with an alternating periodic potential at half-filling by numerical diagonalization of finite systems with the Lanczos and density matrix…
We computationally demonstrate Stoner-ferromagnetic half-metals and antiferromagnetic Mott-Hubbard insulators in metal-free 2D polymers. Coupling radicaloid (hetero)triangulene monomers via strong covalent bonds preserving the in-plane…
Recent technical progress demonstrates the possibility of stacking together virtually any combination of atomically thin crystals of van der Waals bonded compounds to form new types of heterostructures and interfaces. As a result, there is…
The interface between two different semiconductors is crucial in determining the electronic properties at the heterojunction, therefore novel techniques that can probe these regions are of particular interest. Recently it has been shown…
A central goal of modern materials physics and nanoscience is control of materials and their interfaces to atomic dimensions. For interfaces between polar and non-polar layers, this goal is thwarted by a polar catastrophe that forces an…
An investigation of the selfconsistent ambipolar charge kinetics across a negatively biased semiconducting plasma-solid interface is presented. For the specific case of a thin germanium layer with nonpolar electron-phonon scattering,…
We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the…
Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…
We investigate the electronic structure induced by wedge-disclinations (conical singularities) in a honeycomb lattice model realizing Chern numbers $\gamma=\pm 1$. We establish a correspondence between the bound state of (i) an isolated…
Heterostructures and superlattices consisting of a prototype Mott insulator, GdTiO3, and the band insulator SrTiO3 are grown by molecular beam epitaxy and show intrinsic electronic reconstruction, approximately 1/2 electron per surface unit…