相关论文: A completely cofacial organic semiconductor
Using first-principles density functional theory calculations, we investigate a family of stable two-dimensional crystals with chemical formula $A_2B_2$, where $A$ and $B$ belong to groups IV and V, respectively ($A$ = C, Si, Ge, Sn, Pb;…
The discovery of Heusler alloys has revolutionized the research field of intermetallics due to the ease with which one can derive potential candidates for multifunctional applications. During recent years, many half Heusler alloys have been…
When two different electronic materials are brought together, the resultant interface often shows unexpected quantum phenomena, including interfacial superconductivity and Fu-Kane topological superconductivity (TSC). Here, we use molecular…
Topological superconductors (TSCs) are of significant current interest because they offer promising platforms for finding Majorana fermions. Here we report a new superconductor synthesized by intercalating Cu into a naturally-formed…
Topological superconductor (TSC) hosting Majorana fermions has been established as a milestone that may shift our scientific trajectory from research to applications in topological quantum computing. Recently, superconducting Pd-Bi binaries…
Improving the figure of merit $zT$ of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the power factor is to align the band extremum and achieve high…
The mixed-valence compound SmB6 with partially filled samarium 4f flat bands hybridizing with 5d conduction bands is a paramount example of a correlated topological heavy-fermion system. In this study we revisit the topology of SmB6 with…
The possibility of inducing superconductivity in type-I Weyl semimetal through coupling its surface to a superconductor was investigated. A single crystal of NbP, grown by chemical vapor transport method, was carefully characterized by XRD,…
The structural and electronic properties of Si(335)-Au surface decorated with Pb atoms are studied by means of density-functional theory. The resulting structural model features Pb atoms bonded to neighboring Si and Au surface atoms,…
Superconductivity with an ultra low Tc $\sim$ 0.5 mK was discovered recently in bismuth, a semimetal. To develop a model and scenario for Bi we begin with a cubic reference lattice, close to A7 (dimerized cubic) structure of Bi. Three…
The relationship between vacancy ordering and magnetism in TlFe1.6Se2 has been investigated via single crystal neutron diffraction, nuclear forward scattering, and transmission electron microscopy. The examination of chemically and…
The type I superconductor lead (Pb) has been theoretically predicted to be a two-band superconductor. We use scanning tunneling spectroscopy (STS) to resolve two superconducting gaps with an energy difference of 150$\,\mu$eV. Tunneling into…
The solution to the long standing problem of the cohesion of organic chain compounds is proposed. We consider the tight-binding dielectric matrix with two electronic bands per chain, determine the corresponding hybridized collective modes,…
Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural, energetic and kinetic properties of associated twin…
We demonstrate the potential of perylene bisimide (PBI) for label-free sensing of organic molecules by investigating the change in electronic properties of five symmetric and asymmetric PBI derivatives, which share a common backbone, but…
The proximity effect at a highly transparent interface of an s-wave superconductor (S) and a topological insulator (TI) provides a promising platform to create Majorana zero modes in artificially designed heterostructures. However,…
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix…
We predict the existence of transverse electric (TE) plasmons in bilayer graphene. We find that their plasmonic properties are much more pronounced in bilayer than in monolayer graphene, in a sense that they can get more localized at…
We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…
For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously…