Related papers: On the structure of SbTeI
Polymorphic structures of transition-metal dichalcogenides (TMDs) host exotic electronic states, like charge density wave and superconductivity. However, the number of these structures is limited by crystal symmetries, which poses a…
The electronic structures and topological properties of the orthorhombic and monoclinic phases of the quasi-one-dimensional excitonic insulator Ta2NiSe5 are investigated based on density functional theory. In contrast to a single parity or…
Two-dimensional materials provide remarkable platforms to uncover intriguing quantum phenomena and develop nanoscale devices of versatile applications. Recently, AlSb in the double-layer honeycomb (DLHC) structure was successfully…
The molecular structures of the monomeric, pentacoordinated ethylchloroniobium(V) compounds Me3NbCl2 and Me2NbCl3 have been determined by gas electron diffraction (GED)and Density Functional Theory (DFT) calculations, and, for Me3NbCl2, by…
Either in bulk form, or when exfoliated into atomically thin crystals, layered transition metal dichalcogenides are continuously leading to the discovery of new phenomena. The latest example is provided by 1T'-WTe$_2$, a semimetal recently…
In 3D topological insulators achieving a genuine bulk-insulating state is an important research topic. Recently, the material system (Bi,Sb)$_{2}$(Te,Se)$_{3}$ (BSTS) has been proposed as a topological insulator with high resistivity and a…
Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetrahexcarbon [Carbon 137 (2018) 266] according to rational…
We grow nearly freestanding single-layer 1T'-WTe2 on graphitized 6H-SiC(0001) by using molecular beam epitaxy (MBE), and characterize its electronic structure with scanning tunneling microscopy / spectroscopy (STM/STS). We demonstrate the…
We report on synthesis of single crystals of BaFe2Se3 and study of their crystal and magnetic structures by means of synchrotron single crystal X-ray and neutron powder diffraction. The crystal structure has orthorhombic symmetry and…
Topological insulators (TIs) and topological crystal insulators (TCIs) exhibit exotic surface properties. We present optimised growth procedures to obtain high quality bulk crystals of the TCIs Pb_(1-x)Sn_(x)Te and Pb_(1-x)Sn_(x)Se, and…
2H MoS2 has been intensively studied because of layer-dependent electronic structures and novel physical properties. Though the metastable 1T MoS2 with the [MoS6] octahedron was observed from the microscopic area, the true crystal structure…
Bi2Se3, Bi2Te3 and Sb2Te3 compounds are recently predicted to be 3-dimentional (3D) strong topological insulators. In this paper, based on ab-initio calculations, we study in detail the topological nature and the surface states of this…
A mismatch of atomic registries between single-layer transition metal dichalcogenides (TMDs) in a two dimensional van der Waals heterostructure produces a moir\'e superlattice with a periodic potential, which can be fine-tuned by…
Topological insulators hold great potential for efficient information processing and storage. Using density functional theory calculations, we predict that a honeycomb lead monolayer can be stabilized on the Al2O3 (0001) substrate and…
We synthesize a new titanium-oxide compound AlTi2O5 with pseudobrookite-type structure. The formal valence of Ti is 3.5+ that is the same as the Magneli compound Ti4O7 and the spinel compound LiTi2O4. AlTi2O5 exhibits insulating behavior in…
A new class of materials, Topological Crystalline Insulators (TCIs) have been shown to possess exotic surface state properties that are protected by mirror symmetry. These surface features can be enhanced if the surface-area-to-volume ratio…
We present a comprehensive study of the band alignments of two-dimensional (2D) semiconducting materials and highlight the possibilities of forming momentum-matched type I, II and III heterojunctions; an enticing possibility being atomic…
Thermoelectric materials can be designed to support optical resonances across multiple spectral ranges to enable ultra-wide band photodetection. For instance, antimony telluride (Sb2Te3) chalcogenide exhibits interband plasmonic resonances…
Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…
The complex electronic properties of $\mathrm{ZrTe_5}$ have recently stimulated in-depth investigations that assigned this material to either a topological insulator or a 3D Dirac semimetal phase. Here we report a comprehensive experimental…