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Principles of design to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides are presented. A charge transfer analysis of donor metal atoms to electron deficient honeycombed B lattices allows to…
Functional manipulation of graphene is an important topic in view of both fundamental researches and practical applications. In this study, we show that intercalation of 5$d$ transition metals in epitaxial graphene on SiC is a promising…
Structural imperfections such as grain boundaries (GBs) and dislocations are ubiquitous in solids and have been of central importance in understanding nature of polycrystals. In addition to their classical roles, advent of topological…
The discovery of intriguing properties related to the Dirac states in graphene has spurred huge interest in exploring its two-dimensional group-IV counterparts, such as silicene, germanene, and stanene. However, these materials have to be…
The exciting discovery of bi-dimensional systems in condensed matter physics has triggered the search of their photonic analogues. In this letter, we describe a general scheme to reproduce some of the systems ruled by a tight-binding…
We study band modulations and topological transitions in a one-dimensional periodic bead-on-string chain. Using an exact transfer-matrix formulation of the wave equation with periodically modulated mass density, combined with numerical…
Materials with designed properties arises in a synergy between theoretical and experimental approaches. In this study we explore the set of Archimedean lattices forming a guidance to its electronic properties and topological phases. Within…
We study the electronic structure and the phase diagram of non-interacting fermions confined to hexagonal optical lattices. In the first part, we compare the properties of Dirac points arising in the eigenspectrum of either honeycomb or…
We examine the existence of semimetallic spin-density wave states in iron pnictides. In the experimentally observed metallic spin-density wave state, the symmetry-protected Dirac cones are located away from the Fermi surface giving rise to…
The surface states of the three dimensional (3D) Topological Insulators are described by two-dimensional (2D) massless dirac equation. A gate voltage induced one dimensional potential barrier on such surface creates a discrete bound state…
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 recently discovered topological Dirac semimetal represents a new exotic quantum state of matter. Topological Dirac semimetals can be viewed as three dimensional analogues of graphene, in which the Dirac nodes are protected by…
Topological superconductor is a very interesting and frontier topic in condensed matter physics1. Despite the tremendous efforts in exploring the topological superconductivity, its presence is however still under heavy debates. The Dirac…
The phase transition between type-I and type-II Dirac semimetals will reveal a series of significant physical properties because of their completely distinct electronic, optical and magnetic properties. However, no mechanism and materials…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
In topological semimetals the Dirac points can form zero-dimensional and one-dimensional manifolds, as predicted for Dirac/Weyl semimetals and topological nodal line semimetals, respectively. Here, based on first-principles calculations, we…
It is a persisting pursuit to use metal as a channel material in a field effect transistor. All metallic transistor can be fabricated from pristine semimetallic Dirac materials (such as graphene, silicene, and germanene), but the on/off…
We study the topologically non-trivial semi-metals by means of the 6-band Kane model. Existence of surface states is explicitly demonstrated by calculating the LDOS on the material surface. In the strain free condition, surface states are…
The interaction between superconductivity and band topology can lead to various unconventional superconducting (SC) states, and represents a new frontier in condensed matter physics research. Recently, the transition metal dichalcogenide…
In topological quantum materials the conduction and valence bands are connected at points (Dirac/Weyl semimetals) or along lines (Line Node semimetals) in the momentum space. Numbers of studies demonstrated that several materials are indeed…