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Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail by calculating electronic and magnetic properties of these…
Intense laser-driven nonlinear optical phenomena in two-dimensional (2D) nodal-line semimetals (NLS) exhibit complex mechanisms, particularly in the NbSi$_{x}$Te$_{2}$ material systems characterized by nonsymmorphic symmetry-protected band…
The emergent properties of materials are defined by the symmetries of their underlying atomic, spin and charge order. The explorations of symmetry breaking effects are therefore usually limited by the intrinsic properties of known, stable…
The topic of superconductivity in strongly disordered materials has attracted a significant attention. In particular vivid debates are related to the subject of intrinsic spatial inhomogeneity responsible for non-BCS relation between the…
Shift current and second harmonic generation (SHG) are nonlinear optical responses that are often used for photovoltaic effect and the detection of subtle symmetry breaking patterns in materials. It has been recently shown that topological…
In the framework of four-band envelope-function formalism, developed earlier for spherical semiconductor nanocrystals, we study the electronic structure and optical properties of quantum-confined lead-salt (PbSe and PbS) nanowires (NWs)…
Wireless technology relies on the conversion of alternating electromagnetic fields to direct currents, a process known as rectification. While rectifiers are normally based on semiconductor diodes, quantum mechanical non-reciprocal…
In this paper, we couple regularization techniques with the adaptive $hp$-version of the boundary element method ($hp$-BEM) for the efficient numerical solution of linear elastic problems with nonmonotone contact boundary conditions. As a…
We discuss two aspects of the plasmofluidic assembly of plasmonic nanostructures at the metal fluid interface. First, we experimentally show how three and four spot evanescent wave excitation can lead to unconventional assembly of plasmonic…
Observations of topological defects associated with Stone-Wales-type transformations (i.e., bond rotations) in high resolution transmission electron microscopy (HRTEM) images of carbon nanostructures are at odds with the equilibrium…
The exact grand-canonical solution of a generalized interacting self-avoid walk (ISAW) model, placed on a Husimi lattice built with squares, is presented. In this model, beyond the traditional interaction $\omega_1=e^{\epsilon_1/k_B T}$…
In this study we investigate novel hybrid structure of silicon nanowires (SiNWs) coated with PANI:metaloxide(MO$_x$) nanoparticles i.e., WO$_3$ and TiO$_2$. The SiNWs were fabricated using MACE, whereas PANI:MO$_x$ were deposited using…
Tailoring the emission of plasmonic nanowire-based lasers represents one of the major challenges in the field of nanoplasmonics, given the envisaged integration of such devices into on-chip all-optical circuits. In this study, we proposed a…
Recent advances in the growth of III-V semiconductor nanowires (NWs) hold great promise for nanoscale optoelectronic device applications. Recently, it was found that a small amount of nitrogen (N) incorporation in III-V semiconductor NWs…
Employing {\it ab initio} electronic structure calculations we extensively study ternary Heusler compounds having the chemical formula X$_2$X$^\prime$Z, where X = Mn, Fe or Co; Z = Al or Si; and X$^\prime$ changes along the row of 4$d$…
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of…
Unconventional superconductors are often characterized by numerous competing and even intertwined orders in their phase diagrams. In particular, the electronic nematic phases, which spontaneously break rotational symmetry and often…
Nanowires of different nature have been shown to self-assemble as a function of stress at the contact between two macroscopic metallic leads. Here we demonstrate for gold wires that the balance between various metastable nanowire…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
The low-field electron mobility in rectangular silicon nanowire (SiNW) transistors was computed using a self-consistent Poisson-Schr\"{o}dinger-Monte Carlo solver. The behavior of the phonon-limited and surface-roughness-limited components…