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In-plane anisotropic ground states are ubiquitous in correlated solids such as pnictides, cuprates and manganites. They can arise from doping Mott insulators and compete with phases such as superconductivity, however their origins are…
For a nitrogen dimer in insulating MgO, a ferromagnetic coupling between spin-polarized $2p$-holes is revealed by calculations based on the density functional theory amended by an on-site Coulomb interaction and corroborated by the Hubbard…
Pair density modulation is a superconducting state, recently observed in exfoliated iron-based superconductor flakes, in which the superconducting gap oscillates strongly with the same periodicity as the underlying crystalline lattice. We…
We report on a theoretical study of the electronic structures of the [111]-oriented, free-standing, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic $sp^{3}s^{*} $, spin-orbit interaction included,…
Intrinsic topological superconductors with p-wave pairing are rare in nature. Its underlying reason is due to the fact that it is usually difficult to change the relative strength between the singlet and triplet channels for the…
Orbital-ordering instability arising due to the intrapocket nesting is investigated for the tight-binding models of pnictides in the presence of orbital-lattice coupling. The incommensurate instabilities with small momentum, which may play…
The properties of neutral acceptor states in zinc-blende semiconductors are re-examined in the frame of extended-basis $sp^3d^5s^*$ tight-binding model. The symmetry discrepancy between envelope function theory and atomistic calculations is…
Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {\it ab initio} hopping parameters and the ground…
We explore higher order topological superconductivity in an artificial Dirac material with intrinsic spin-orbit coupling, which is a doped $\mathbb{Z}_2$ topological insulator in the normal state. A mechanism for superconductivity due to…
Nanophotonics and metamaterials have revolutionised the way we think about optical space (epsilon, mu), enabling us to engineer the refractive index almost at will, to confine light to the smallest of the volumes, and to manipulate optical…
The search for miniaturized components for nonlinear optical processes needs a way to overcome the efficiency loss due to the effective size reduction of the active medium. We investigate here a combination of a nanosized nonlinear…
Recent work suggested that head-to-head and tail-to-tail domain walls could be induced to form in ferroelectric superlattices by introducing compensating "delta doping" layers via chemical substitution in specified atomic planes [Phys. Rev.…
The inner crust of neutron stars hosts a rich variety of nuclear phenomena and provides a unique environment for exploring microscopic nuclear properties relevant to diverse astrophysical observations. Particularly magnetars, which possess…
We report results on the control of barrier transparency in InAs/InP nanowire quantum dots via the electrostatic control of the device electron states. Recent works demonstrated that barrier transparency in this class of devices displays a…
Routes to enhance superconducting instability are explored for doped Mott insulators. With the help of insights for criticalities of metal-insulator transitions, geometrical design of lattice structure is proposed to control the…
The electronic band structure of iron pnictides exhibits four Dirac cones, which are due to crystal symmetry and orbital bonding orientation. This hallmark signature presents the pnictide family as an ideal candidate in the search for…
It is shown that mechanical twinning in smectic crystals is possible. The structure of the boundary of twins for a small disorientation of crystallites is determined. The periodic twin structure, which should appear at the tension of the…
Understanding the interplay between the structural, chemical and physical properties of nanomaterials is crucial for designing new devices with enhanced performance. In this regards, doping of metal oxides is a general strategy to tune…
The Zintl compound AIn2X2 (A = Ca, Sr, and X = P, As), as a theoretically predicted new non-magnetic topological insulator, requires experiments to understand their electronic structure and topological characteristics. In this paper, we…
Van der Waals (vdW) heterostructures formed by 2D atomic crystals provide a powerful approach towards designer condensed matter systems. Incommensurate heterobilayers with small twisting and/or lattice mismatch lead to the interesting…