Related papers: New Group V Elemental Bilayers: A Tunable Structur…
Materials combining electrically switchable ferroelectricity and tunable topological states hold significant promise for advancing both foundamental quantum phenomena and innovative device architectures. Here, we employ first-principles…
Dispersionless flat bands are proposed to be a fundamental ingredient to achieve the various sought after quantum states of matter including high-temperature superconductivity1-4 and fractional quantum Hall effect5-6. Materials with such…
The topology of pure Bi is controversial because of its very small ($\sim$10 meV) band gap. Here we perform high-resolution angle-resolved photoelectron spectroscopy measurements systematically on 14$-$202 bilayers Bi films. Using…
We report two new members of V-based kagome metals CsV$_{6}$Sb$_{6}$ and CsV$_{8}$Sb$_{12}$. The most striking structural feature of CsV$_{6}$Sb$_{6}$ is the V kagome bilayers. For CsV$_{8}$Sb$_{12}$, there is an intergrowth of…
A new spin-ladder family material BiCu$_2$VO$_6$ is studied by means of the magnetic susceptibility, heat capacity and neutron inelastic scattering measurements on powder sample. Singlet ground state and a finite spin gap are confirmed by…
The link between crystal and electronic structure is crucial for understanding structure-property relations in solid-state chemistry. In particular, it has been instrumental in understanding topological materials, where electrons behave…
Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been drawing much attention recently due to their promising applications for next-generation (opt)electronics. This family of 2D materials contains more than 400 members,…
In analogy to III-V compounds, which have significantly broadened the scope of group IV semiconductors, we propose IV-VI compounds as isoelectronic counterparts to layered group V semiconductors. Using {\em ab initio} density functional…
The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals…
Using density functional theory calculations, we investigated the properties of few-layer silicene nanosheets, namely bilayers and trilayers, functionalized with group-III or group-V atoms of the periodic table. We considered the…
In conventional electrides, excess electrons are localized in crystal voids to serve as anions. Most of these electrides are metallic and the metal cations are primarily from the s-block, d-block, or rare-earth elements. Here, we report a…
MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast chemical and phase space, relatively few MABs have yet been…
Since the discovery of superconductive twisted bilayer graphene which initiated the field of twistronics, moir\'e systems have not ceased to exhibit fascinating properties. We demonstrate that in boron nitride twisted bilayers, for a given…
Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequenceis analysis, we predict a new family of two-dimensional materials based on the idea…
The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…
New materials are currently sought for use in spintronics applications. Ferromagnetic materials with half metallic properties are valuable in this respect. Here we present the electronic structure and magnetic properties of binary compounds…
Unusual physical properties of single-wall carbon nanotubes have started a search for similar tubular structures of other elements. In this paper, we present a theoretical analysis of single-wall nanotubes of silicon and group III-V…
The recent experimental characterization of B80- via photoelectron spectroscopy stimulated renewed interest in exploring B80 clusters. Here, a D3h-symmetric B80 bilayer structure has been proposed using density functional theory…
Bi alloying is predicted to transform GaAs from a semiconductor to a topological insulator or semi-metal. To date, studies of the GaAs$_{1-x}$Bi$_x$ alloy band structure have been limited, and the origins of Bi-induced enhancement of the…
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…