Related papers: A novel intrinsic interface state controlled by at…
Hybrid organic/inorganic interfaces have been widely reported to host emergent properties that go beyond those of their single constituents. Coupling molecules to the recently discovered topological insulators, which possess a linearly…
Here, we quantitatively determine the impact of III-V/Si interface atomic configuration on the wetting properties of the system. Based on a description at the atomic scale using density functional theory, we first show that it is possible…
A theoretical framework incorporating atomic-level interfacial details is derived to include the electronic structure of buried interfaces and describe the behavior of charge carriers in heterostructures in the presence of finite…
Rare-earth-ion-doped crystals has emerged as a promising platform for quantum technologies, owing to their narrow telecom-band optical emission, long spin memory, and compatibility with silicon integrated photonic architectures. However,…
The spectacular performance of halide perovskites in optoelectronic devices is rooted in their tolerance to defects. Previous studies showed that defects in these materials generate shallow electronic states. However, how these shallow…
Optically active solid-state spin registers have demonstrated their unique potential in quantum computing, communication and sensing. Realizing scalability and increasing application complexity requires entangling multiple individual…
We propose the atomic structures of the 4H-SiC/SiO$_2$ interface for the $a$, $m$, C, and Si faces after NO annealing. Our proposed structures preferentially form at the topmost layers of the SiC side of the interface, which agrees with the…
The electronic structure at the interface between a topological band insulator and a Mott insulator is studied within layer dynamical mean field theory. To represent the bulk phases of these systems, we use the generalized…
Charge redistribution at interfaces is crucial for electronic applications of high-Tc superconductors, since the band structure is modified on a local scale. We address the normal-state electronic structure of YBa2Cu3O7 (YBCO) at an…
A new state of matter, an excitonic insulator (EI) state, was predicted to emerge from Bose-Einstein condensation of electron-hole pairs. Some candidate materials were suggested but it has been elusive to confirm its existence. Recent works…
We have constructed microscopic, structurally-relaxed atomistic models of Si/SiO$_2$ superlattices. The structural distortion and oxidation-state characteristics of the interface Si atoms are examined in detail. The role played by the…
Thin (6-7 quintuple layer) topological insulator Bi2Se3 quantum dot devices are demonstrated using ultrathin (2~4 quintuple layer) Bi2Se3 regions to realize semiconducting barriers which may be tuned from Ohmic to tunneling conduction via…
Two-electron states bound to donors in silicon are important for both two qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multi-electron exchange and…
The electronic structures of element cerium under high pressure remain unclear all the time. We tried to calculate the electronic structures of $\alpha'$, $\alpha"$, and $\epsilon$-Ce which only exist in the presence of pressure, by using…
Nanoscale control of the quasi-two-dimensional electron gas at the LaAlO3/SrTiO3 (LAO/STO) interface by a conductive probe tip has triggered the development of a number of electronic devices. While the spatial distribution of the…
Bi$_{2}$Se$_{3}$ is a topological insulator whose unique properties result from topological surface states (TSS) in the band gap. Low energy ion scattering can determine the properties of the outermost few atomic layers of a solid. The…
On the kagome lattice, electrons benefit from the simultaneous presence of band topology, flat electronic bands, and van Hove singularities, forming competing or cooperating orders. Understanding the interrelation between these distinct…
Properties of quantum dot based spin qubits have significant inter-device variability due to unavoidable presence of various types of disorder in semiconductor nanostructures. A significant source of this variability is charge disorder at…
Organic semiconductors are a promising class of materials for numerous electronic and optoelectronic applications, including solar cells. However, these materials tend to be extremely sensitive to the local environment and surrounding…
An unusual electron transfer phenomenon has been identified from an n-type semiconductor to Schottky metal particles, the result of a unique metal semiconductor interface that results when the metal particles are grown from the…