Related papers: A completely cofacial organic semiconductor

A quadratic band crossing (QBC) is a crossing of two bands with quadratic dispersion, which has been intensively investigated due to its appearance in Bernal-stacked bilayer graphene. Here, we study an extension of QBCs, the triply…

In crystalline systems with a superstructure, the electron dispersion can form a nontrivial covering of the Brillouin zone. It is proved that the number of sheets in this covering and its monodromy are topological invariants under ambient…

The great majority of electronic and optoelectronic devices depends on interfaces between n-type and p-type semiconductors. Finding such matching donor-acceptor systems in molecular crystals remains a challenging endeavor. Structurally…

The crystal structure of Pb$_{10}$(PO$_4$)$_6$O, the proposed matrix for the potential room-temperature superconductor LK-99, Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O ($x = 0.9-1.0$), has been reinvestigated by single-crystal X-ray diffraction using…

Topological superconductivity is the quantum condensate of paired electrons with an odd parity of the pairing function. One of the candidates is the triplet pairing superconductor derived from topological insulator Bi2Se3 by chemical…

Band gap anomaly is a well-known issue in lead chalcogenides PbX (X=S, Se, Te, Po). Combining ab initio calculations and tight-binding (TB) method, we have studied the band evolution in PbX, and found that the band gap anomaly in PbTe is…

Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an…

By the first-principles electronic structure calculations, we find that the ground state of the Fe-vacancies ordered TlFe$_{1.5}$Se$_2$ is a quasi-two-dimensional collinear antiferromagnetic semiconductor with an energy gap of 94 meV, in…

We have found that surface superstructures made of "monolayer alloys" of Tl and Pb on Si(111), having giant Rashba effect, produce non-reciprocal spin-polarized photocurrent via circular photogalvanic effect (CPGE) by obliquely shining…

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 observed superconductivity ($T_{c}$ $\simeq$2-3 K) in Li$_{x}$RhB$_{y}$ intermetallics wherein $x$ and $y$ vary over a wide compositional range. The crystal structure consists of cubic unit-cell ($a$ $\simeq$ 12.1 \AA ) with…

Using density-functional calculations we study the structure and polarization response of tetragonal PbTiO3, BaTiO3 and SrTiO3 in a strain regime that is previously overlooked. Different from common expectations, we find that the…

The ABC-stacked N-layer-graphene family of two-dimensional electron systems is described at low energies by two remarkably flat bands with Bloch states that have strongly momentum-dependent phase differences between carbon pi-orbital…

We find that the hole mobility of the crystal smectic phases of the liquid crystal 1,4-di-(5-n-tridecylthien-2-yl)-benzene increases exponentially with decreasing temperature. While qualitatively consistent with transport via polaron bands,…

The discovery of correlated electronic phases, including Mott-like insulators and superconductivity, in twisted bilayer graphene (TBLG) near the magic angle, and the intriguing similarity of their phenomenology to that of the…

In a groundbreaking experimental advance it was recently shown that by stacking two sheets of graphene atop of each other at a twist angle close to one of the so called "magic angles", an effective two-dimensional correlated system emerges.…

Lead-halide perovskite (LHP) semiconductors are emergent optoelectronic materials with outstanding transport properties which are not yet fully understood. We find signatures of large polaron formation in the electronic structure of the…

First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…

The unconventional superconductivity in the newly discovered iron-based superconductors is intimately related to its multi-band/multi-orbital nature. Here we report the comprehensive orbital characters of the low-energy three-dimensional…

To resolve the controversial issue of the topological nature of the electronic structure of YbB$_{6}$, we have made a combined study using density functional theory (DFT) and angle resolved photoemission spectroscopy (ARPES). Accurate…