Related papers: Towards planar Iodine 2D crystal materials
The ability to construct 2D systems, beyond materials natural formation, enriches the search and control capability of new phenomena. For instance, the synthesis of topological lattices of vacancies on metal surfaces through scanning…
We investigate the behaviour of the $\pi$-electrons under compression and the effect of the stacking order of graphene layers. First we find that electrons can hardly be squeezed through the $sp^2$ network, regardless of the stacking order.…
We show that in transition metal compounds containing structural metal dimers there may exist in the presence of different orbitals a special state with partial formation of singlets by electrons on one orbital, while others are effectively…
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…
Semi-metals are characterized by nodal band structures that give rise to exotic electronic properties. The stability of Dirac semi-metals, such as graphene in two spatial dimensions (2D), requires the presence of lattice symmetries, while…
Recently, the concept of topological insulators has been generalized to topological semimetals, including three-dimensional (3D) Weyl semimetals, 3D Dirac semimetals, and 3D node-line semimetals. In particular, several compounds (e.g.,…
Samarium hexaboride (SmB$_6$), a representative Kondo insulator, has been characterized recently as a likely topological insulator. It is also a material with strong electron correlations, evident by the temperature dependence of its…
An isolated calcium (Ca) atom has empty d-orbitals under ambient conditions. However, s-d band hybridization has been observed in both elemental Ca and compounds by manipulating thermodynamic conditions. Here, we reveal that the Ca 3d-band…
It is highly desirable to combine recent advances in the topological quantum phases with technologically relevant materials. Chromium dioxide (CrO2) is a half-metallic material, widely used in high-end data storage applications. Using first…
In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…
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…
We use first principles calculations to study the electronic properties of rock salt rare earth monopnictides La$X$ ($X=$N, P, As, Sb, Bi). A new type of topological band crossing termed `linked nodal rings' is found in LaN when the small…
We introduce the notion of a band-inverted, topological semimetal in two-dimensional nonsymmorphic crystals. This notion is materialized in the monolayers of MTe$_2$ (M $=$ W, Mo) if spin-orbit coupling is neglected. We characterize the…
Though several theoretical models have been proposed to design electronic flat-bands, the definite experimental realization in two-dimensional atomic crystal is still lacking. Here we propose a novel and realistic flat-band model based on…
GICs doped with elements containing d and f orbitals have been studied rarely. We control the distribution and density of intercalated actinide metals (Th, U and Pu), and consider the effect of changing the distance of two adjacent carbon…
Two-dimensional (2D) metallic altermagnets present exciting opportunities for both fundamental research and practical innovations. Their ability to enhance tunneling magnetoresistance in magnetic tunnel junctions, combined with the direct…
We consider quantum rings realized in materials where the dynamics of charge carriers mimics that of two-dimensional (2D) Dirac electrons. A general theoretical description of the ring-subband structure is developed that applies to a range…
Crystal symmetries can enforce all bands of a material to be topological, a property that is commonly referred to as ``supertopology". Here, we determine the symmetry-enforced $\mathbb{Z}_2$ supertopologies of non-magnetic centrosymmetric…
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…
Topological phases are characterised by a topological invariant that remains unchanged by deformations in the Hamiltonian. Materials exhibiting topological phases include topological insulators, superconductors exhibiting strong spin-orbit…