相关论文: First Principles Study of 2D Ring-Te and its Elect…
Semiconducting MoTe2 is one of the few two-dimensional (2D) materials with a moderate band gap, similar to silicon. However, this material remains under-explored for 2D electronics due to ambient instability and predominantly p-type Fermi…
The elemental two-dimensional (2D) materials such as graphene, silicene, germanene, and black phosphorus have attracted considerable attention due to their fascinating physical properties. Structurally they possess the honeycomb or…
Topological superconductors should be able to provide essential ingredients for quantum computing, but are very challenging to realize. Spin-orbit interaction in iron-based superconductors opens the energy gap between the $p$-states of…
Discovery and design of two-dimensional (2D) materials with suitable band gaps and high carrier mobility is of vital importance for photonics, optoelectronics, and high-speed electronics. In this work, based on first principles calculations…
The ongoing demand for more energy-efficient, high-performance electronics is driving the exploration of innovative materials and device architectures, where interfaces play a crucial role due to the continuous downscaling of device…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…
Two-dimensional (2D) topological insulators (TIs) with a large bulk band-gap are promising for experimental studies of the quantum spin Hall effect and for spintronic device applications. Despite considerable theoretical efforts in…
With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other…
Atomically thin transitional metal ditellurides like WTe2 and MoTe2 have triggered tremendous research interests because of their intrinsic nontrivial band structure. They are also predicted to be 2D topological insulators and type-II Weyl…
ZrTe$_5$ is considered a potential candidate for either a Dirac semimetal or a topological insulator in close proximity to a topological phase transition. Recent optical conductivity results motivated a two-band model with a conical…
Two-dimensional (2D) metallic systems with intrinsically low lattice thermal conductivity are rare, yet they are of great interest for next-generation energy and electronic technologies. Here, we present a comprehensive first-principles…
We report an ultrahigh pyroelectric response in van der Waals bonded layers of two-dimensional (2D) tellurium (Te) nanosheets (thickness, d = 4 to 5 nm) at periodic on-off temperature oscillations. For the first time a large pyroelectric…
A topological insulator possesses a bulk energy gap splitting the lowest empty band from the highest occupied electronic band. The electronic states at the surface (or edge in two dimensions), on the other hand, of a topological insulator…
Quantum topological materials, exemplified by topological insulators, three-dimensional Dirac semimetals and Weyl semimetals, have attracted much attention recently because of their unique electronic structure and physical properties. Very…
2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the…
Two-dimensional (2D) topological insulators (TIs), a new state of quantum matter, are promising for achieving the low-power-consuming electronic devices owning to the remarkable robustness of their conducting edge states against…
PtTe$_2$ and PdTe$_2$ are among the first transition metal dichalcogenides that were predicted to host type-II Dirac fermions, exotic particles prohibited in free space. These materials are layered and air-stable, which makes them top…
Tellurium (Te) is an intrinsically p-type doped narrow bandgap semiconductor with excellent electrical conductivity and low thermal conductivity. Bulk trigonal Te has been theoretically predicted and experimentally demonstrated to be an…
The exploration for novel two-dimensional (2D) materials with diverse electronic characteristics has attracted growing interest in recent years. Using density functional theory (DFT) calculations, we have predicted a new family of 2D…
We have performed a systematic high-momentum-resolution photoemission study on ZrTe$_5$ using $6$ eV photon energy. We have measured the band structure near the $\Gamma$ point, and quantified the gap between the conduction and valence band…