Related papers: One-dimensional electronic states in a natural mis…
Graphene is a two-dimensional (2D) semimetal with high mobility in charge carriers due to the existence of Dirac points. Silicene is another promising material, with properties analog to graphene. Many silicon (Si) based electronic devices…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
We have performed x-ray photoemission spectroscopy on the system of noncentrosymmetric superconductor, Li$_2$(Pd$_x$Pt$_{1-x}$3)B. For Li$_2$Pt$_3$B, we found 2 major peaks with 2 other weak components, and the band calculations were in…
Two-dimensional boron (borophene) is featured by its structural polymorphs and distinct in-plane anisotropy, opening opportunities to achieve tailored electronic properties by intermixing different phases. Here, using scanning tunneling…
Twisted heterostructures of two-dimensional crystals can create a moir\'{e} landscape, which can change the properties of it's parent crystals. However, the reproducibility of manual stacking is far from perfect. Here, the alternated…
The properties of 2D materials are strongly influenced by their substrate, leading to a variety of "proximity effects" like screening, charge transfer, and hybridization. Surprisingly, there is a dearth of theoretical studies on these…
In this work, we reveal a curious type of moir\'e effect that selectively modifies the surface states of bulk crystal. We synthesize mixed-dimensional heterostructures consisting of a noble gas monolayer grow on the surface of bulk Bi(111),…
ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium chains. They preserve inversion symmetry…
Half-Heusler compounds are a class of materials with great potential for the study of distinct electronic states. In this work, we investigate, from first-principles, the possibility of hinge modes in closely related topological phases that…
Antimony shows promise as a two-dimensional (2D) mono-elemental crystal, referred to as antimonene. When exposed to ambient conditions, antimonene layers react with oxygen, forming new crystal structures, leading significant changes in…
We review a variety of theoretical and experimental results concerning electronic band structure of superconducting materials based on FeSe monolayers. Three type of systems are analyzed: intercalated FeSe systems A_xFe_2Se_{2-x}S_x and…
We investigate the three-dimensional electronic structure of the seminal charge-density-wave (CDW) material 2H-NbSe$_2$ by soft x-ray angle-resolved photoelectron spectroscopy and density-functional theory. Our results reveal the pronounced…
Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…
FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy…
In the large family of two-dimensional (2D) layered materials including graphene, its honeycomb analogs, and transition-metal dichalcogenides, the interlayer coupling plays a rather intriguing role. On the one hand, the weak van der Waals…
We have calculated electronic and optical properties of Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures by a semiempirical $sp^{3}s^{*}$ tight-binding method. Tight-binding parameters and band bowing of BeSe$_{0.41}$Te$_{0.59}$ are considered…
The stacked two layered materials with a lattice constant mismatch and/or with twist angle relative to each other can create a moir\'e pattern, modulating the electronic properties of the pristine materials. Here, we combine scanning…
Natural oxidation is a common degradation mechanism of both mechanical and electronic properties for most of the new two-dimensional materials. From another perspective, controlled oxidation is an option to tune material properties,…
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…
By means of first-principles calculations, we explore systematically the geometric, electronic and piezoelectric properties of multilayer SnSe. We find that these properties are layer-dependent, indicating that the interlayer interaction…