Related papers: Data Mining for Three-Dimensional Organic Dirac Ma…
Materials harboring exotic quasiparticles, such as Dirac and Weyl fermions\cite{xu2015discovery,borisenko2015time,weng2015weyl,xu2015observation}, have garnered much attention from the physics and material science communities. These…
Chemically realistic quasi-one-dimensional (1D) materials in which Dirac fermions and highly degenerate flat bands coexist intrinsically at the Fermi level are exceedingly rare, while representing a highly desirable platform for correlated…
Using an evolutionary algorithm in combination with first-principles density functional theory calculations, we identify two-dimensional (2D) CaP$_3$ monolayer as a new Dirac semimetal due to inversion and nonsymmorphic spatial symmetries…
Topological Dirac semimetals are a class of semimetals that host symmetry-protected Dirac points near the Fermi level, which arise due to a band inversion of the conduction and valence bands. In this work, we study the less explored class…
Topological metals with protected band-crossing points have been attracting great interest. Here we report novel topological band features in a family of metal diboride materials. Using first- principles calculations, we show that these…
We demonstrate a data mining approach to discover and develop new organic nonlinear optical crystals that produce intense pulses of terahertz radiation. We mine the Cambridge Structural Database for non-centrosymmetric materials and use…
The extraordinary electronic properties of Dirac materials, the two-dimensional partners of Weyl semimetals, arise from the linear crossings in their band structure. When the dispersion around the Dirac points is tilted, the emergence of…
Data-driven methodologies for designing new materials are developing apace, yet advances for organic crystals have been infrequent. For organic crystals, the need to predict solid-state electronic properties from molecular structure alone…
We use tunable, vacuum ultraviolet laser-based angle-resolved photoemission spectroscopy and density functional theory calculations to study the electronic properties of Dirac semimetal candidate cubic PtBi${}_{2}$. In addition to bulk…
Double Dirac materials are a topological phase of matter in which a non-symmorphic symmetry enforces greater electronic degeneracy than normally expected up to eightfold. The cubic palladium bronzes NaPd$_3$O$_4$ and LaPd$_3$S$_4$ are built…
Topological electronic flatten bands near or at the Fermi level are a promising avenue towards unconventional superconductivity and correlated insulating states. However, the related experiments are mostly limited to the engineered…
Recent experiments on the Kagome spin liquid candidate YCOB suggest the presence of Dirac fermionic spinons near the magnetization plateau at 1/9. Theories suggest that the spinons are charge neutral spin-$1/2$ excitations, in a $2\pi/3$…
Dirac semi-metal with magnetic atoms as constituents delivers an interesting platform to investigate the interplay of Fermi surface (FS) topology, electron correlation, and magnetism. One such family of semi-metal is YbMn$Pn_2$ ($Pn$ = Sb,…
Topological semimetals, representing a new topological phase that lacks a full bandgap in bulk states and exhibiting nontrivial topological orders, recently have been extended to photonic systems, predominantly in photonic crystals and to a…
We propose an exact analytical decimation transformation scheme to explore the fascinating coexistence of flat bands and Dirac fermions in three-dimensional coupled kagome systems. Our method allows coarse-graining of the parameter space…
A class of graphene wound into three-dimensional periodic curved surfaces ("graphitic zeolites") is proposed and their electronic structures are obtained to explore how the massless Dirac fermions behave on periodic surfaces. We find in the…
Dirac points lie at the heart of many fascinating phenomena in condensed matter physics, from massless electrons in graphene to the emergence of conducting edge states in topological insulators [1, 2]. At a Dirac point, two energy bands…
Using first-principles calculations, we report that ZrO is a topological material with the coexistence of three pairs of type-II triply degenerate nodal points (TNPs) and three nodal rings (NRs), when spin-orbit coupling (SOC) is ignored.…
Three dimensional (3D) Dirac semimetal is a novel state of quantum matter, characterized by the gapless bulk four-fold degeneracy near Fermi energy. Soon after its discovery, the classification of stable 3D Dirac semimetals with inversion…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…