Related papers: Interfacial Reconstructions and Engineering in III…
Infinite-layer nickelate superconductors are typically synthesized as thin films and thus include, besides the more bulk-like inner layers, distinct surface and interface layers in contact with the vacuum and substrate, respectively. Here,…
We apply both analytical and ab-initio methods to explore heterostructures composed of a threedimensional topological insulator (3D TI) and an ultrathin normal insulator (NI) overlayer as a proof ground for the principles of the topological…
Optically active III-V group semiconductor quantum dots (QDs) are the leading element of the upcoming safe quantum communication. However, the entire electronic and IT infrastructure relies on silicon-based devices, with silicon also…
We consider a generic model for interacting waveguide QED systems, where photons in a coupled-cavity array localize around atomic impurities while simultaneously interacting through local Kerr nonlinearities. This scenario appears naturally…
Strongly-coupled quantum dot molecules (QDMs) are widely deployed in the design of a variety of optoelectronic, photovoltaic, and quantum information devices. An efficient and optimized performance of these devices demands engineering of…
At photoelectrosynthetic interfaces, an electrochemical reaction is driven by excited charge-carriers from a semiconducting photoabsorber. Structure and composition of this interface determine both the electronic and electrochemical…
The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study the electronic structure of InAs(001), InAs(111), and…
Heterostructured quantum dots (QDs) based on narrow-gap PbSe and wide-gap CdSe have been studied with an eye on their prospective applications in near-infrared (NIR) light sources, photodetectors, and solar cells. The most common structural…
Surface reconstruction plays a vital role in determining the surface electronic structure and chemistry of semiconductors and metal oxides. However, it has been commonly believed that surface reconstruction does not occur in van der Waals…
Building on advances in topological photonics and computational optimization, we inversedesign a periodic dielectric structure surrounding a chain of interacting qubits, emulating an extended, dimerized Su-Schrieffer-Heeger (SSH) excitonic…
Quantum dots (QDs) are semiconductor nanostructures in which a three dimensional potential trap produces an electronic quantum confinement, thus mimicking the behaviour of single atomic dipole-like transitions. However unlike atoms, QDs can…
Two dimensional electron systems exhibiting the fractional quantum Hall effects are characterized by a quantized Hall conductance and a dissipationless bulk. The transport in these systems occurs only at the edges where gapless excitations…
An outstanding challenge of theoretical electronic structure is the description of van der Waals (vdW) interactions in molecules and solids. Renewed interest in resolving this is in part motivated by the technological promise of layered…
Nonlinear frequency conversion unlocks technologies ranging from telecommunications to quantum computation; however, weak nonlinearities and architectures that resist miniaturization currently limit devices. Here, we combine a…
The electronic structure of CdSe/CdS core/shell seeded nanorods of experimentally relevant size is studied using a combination of molecular dynamics and semiempirical pseudopotential techniques, with the aim to address the transition from…
The development of solid-state batteries (SSBs) is hindered by degradation at solid-solid interfaces due to void formation and contact loss, resulting in increased impedance. Here, we systematically investigate the roles of real and…
Exotic electronic states are realized in novel quantum materials. This field is revolutionized by the topological classification of materials. Such compounds necessarily host unique states on their boundaries. Scanning tunneling microscopy…
Quantum dot (QD) assemblies are nanostructured networks made from aggregates of QDs and feature improved charge and energy transfer efficiencies compared to discrete QDs. Using first-principles many-body perturbation theory, we…
Driving quantum phase transitions in the 3D topological insulators offers pathways to tuning the topological states and their properties. We use DFT-based calculations to systematically investigate topological phase transitions in…
Heterostructures of topological insulator Bi$_2$Se$_3$ on transition metal dichalcogenides (TMDCs) offer a new materials platform for studying novel quantum states by exploiting the interplay among topological orders, charge orders and…