Related papers: Three-dimensional carbon Archimedean lattices for …
Almost all oxide two-dimensional electron gases are formed in SrTiO$_3$-based heterostructures and the study of non-SrTiO$_3$ systems is extremely rare. Here, we report the realization of a two-dimensional electron gas in a CaTiO$_3$-based…
Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \textit{sp\textsuperscript{2}}, and…
In this paper we present a detailed computational study of the electronic structure and optical properties of triply-bonded hydrocarbons with linear, and graphyne substructures, with the aim of identifying their potential in opto-electronic…
Recent progress in porous carbon materials has highlighted the importance of structural design in controlling emergent physicochemical properties. In this context, hydrogen-substituted graphdiyne (HsGDY), a three-dimensional framework…
Searching for novel two-dimensional (2D) materials is highly desired in the field of nanoelectronics. We here propose a new 2D crystal barium tri-arsenide ($\mathrm{BaAs_3}$) with a series of encouraging functionalities. Being kinetically…
3D titanium carbonitrides TiCxNy possess excellent physical, chemical, and mechanical properties, attractive for various industrial applications. Most recently, the uncommon nano-sized layers of 2D-like titanium carbonitrides were…
Metal-oxide-semiconductor field-effect transistors (MOSFET's) using atomic-layer-deposited (ALD) Al$_2$O$_3$ as the gate dielectric are fabricated on the Si/Si$_{1-x}$Ge$_x$ heterostructures. The low-temperature carrier density of a…
First-principles calculations were performed, and the results from the study of structural, electronic and elastic properties of zincblende III-arsenide binary compounds (BAs, AlAs, GaAs and InAs) are presented. These properties have been…
Graphene antidot lattices (GALs) are two-dimensional (2D) monolayers with periodically placed holes in otherwise pristine graphene. We investigate the electronic properties of symmetric and asymmetric GAL structures having hexagonal holes,…
The three-dimensional Dirac semimetal is distinct from its two-dimensional counterpart due to its dimensionality and symmetry. Here, we observe that molecule-based quasi-two-dimensional Dirac fermion system, $\alpha$-(BEDT-TTF)$_2$I$_3$,…
Dirac materials respond to lattice deformations as if the electrons were coupled to gauge fields. We derive the elastic gauge fields in the hyperhoneycomb lattice, a three dimensional (3D) structure with trigonally connected sites. In its…
Graphdiyne and graphyne are carbon-based two-dimensional (2D) porous atomic lattices, with outstanding physics and excellent application prospects for advanced technologies, like nanoelectronics and energy storage systems. During the last…
We present implementation of second- and third-order algebraic diagrammatic construction theory for efficient and accurate computations of molecular electron affinities (EA), ionization potentials (IP), and densities of states…
The immense interest in carbon nanomaterials continues to stimulate intense research activities aimed to realize carbon nanowires, since linear chains of carbon atoms are expected to display novel and technologically relevant optical,…
We present a study of mechanical, electronic and magnetic properties of two dimensional (2D), monolayer of silicon carbide (SiC) in honeycomb structure and its quasi 1D armchair nanoribbons using first-principles plane wave method. In order…
Carbon allotropes have a large family of materials with varieties of crystal structures and properties and can realize different topological phases. Using first principles calculations, we predict a new two-dimensional (2D) carbon…
2D materials with high charge carrier mobility and tunable electronic band gaps have attracted intense research effort for their potential use as active components in nanoelectronics. 2D-conjugated polymers (2DCP) constitute a promising…
Cadmium arsenide Cd$_3$As$_2$ hosts massless Dirac electrons in its ambient-conditions tetragonal phase. We report X-ray diffraction and electrical resistivity measurements of Cd$_3$As$_2$ upon cycling pressure beyond the critical pressure…
We use angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of CaFe2As2 - parent compound of a pnictide superconductor. We find that the structural and magnetic transition is accompanied by a three- to…
Hyperbolic materials are natural or engineered artificial structures that provide means to manipulate and control electromagnetic radiation, leading to a variety of strong light-matter interactions at the nanoscale. In this work, we explore…