Related papers: Topological metal behavior in GeBi2Te4 single crys…
Magnetic topological semimetals provide a promising platform for emergent quantum phenomena driven by the interplay between magnetism and relativistic fermions, including anomalous transport effects and tunable topological phases. Here, we…
In rare-earth monopnictides like NdBi, the interplay between magnetism and topology results in an extremely unusual topological semimetal phase which simultaneously hosts Weyl points with Fermi arcs as well as massive and massless Dirac…
Properties of two-dimensional transition metal dichalcogenides are highly sensitive to the presence of defects in the crystal structure. A detailed understanding of defect structure may lead to control of material properties through defect…
Condensed matter systems in low dimensions exhibit emergent physics that does not exist in three dimensions. When electrons are confined to one dimension (1D), some significant electronic states appear, such as charge density wave,…
Dirac semimetals host bulk band-touching Dirac points and a surface Fermi loop. We develop a theory of superconducting Dirac semimetals. Establishing a relation between the Dirac points and the surface Fermi loop, we clarify how the…
Ternary tetradymites Bi2Te2S, Bi2Te2Se and Bi2Se2Te are found to be stable, bulk topological insulators via theory, showing band inversion between group V and VI pz orbitals. We identify Bi2Se2Te as a good candidate to study massive Dirac…
In this paper we report the structure of the Li4Ge4 cluster as a function of charge transfer and polarizability. We find that for small charge transfer (Q < 0.5) this cluster has the expected cubic structure: a Ge4 tetrahedron with a Li ion…
The origin of the charge density wave in TaTe$_4$ is discussed on the basis of a first-principles DFT analysis of the Fermi surface, electron-hole response function, phonon band structure of the average structure and structural optimization…
The discovery of Weyl and Dirac semimetals has produced a number of dramatic physical effects, including the chiral anomaly and topological Fermi arc surface states. We point out that a very different but no less dramatic physical effect is…
The recent surge of interest in phase change materials GeTe, Ge$_2$Sb$_2$Te$_5$, and related compounds motivated us to revisit the structural phase transition in GeTe in more details than was done before. Rhombohedral-to-cubic ferroelectric…
The established diversity of electronic topology classes lends the opportunity to pair them into dual topological complexes. Bulk-surface correspondence then ensures the coexistence of a combination of boundary states that cannot be…
We present a prediction of the Dirac semimetal (DSM) phase in MgTa2N3 based on first-principles calculations and symmetry analysis. In this material, the Fermi level is located exactly at the Dirac point without additional Fermi surface…
This study shows a method of enhancing the thermoelectric properties of GeTe-based materials by Ti and Bi co-doping on cation sites along with self-doping with Ge via simultaneous optimization of electronic (via crystal field engineering,…
Strong correlations lead to emergent excitations at low energies. When combined with symmetry constraints, they may produce topological electronic states near the Fermi energy. Within this general framework, here we address the topological…
Topological quasiparticles, arising when the chemical potential is near the band crossing, are pivotal for the development of next-generation quantum devices. They are expected to exist in half-Heusler correlated topological semimetals.…
In an ideal 3D topological insulator (TI), the bulk is insulating and the surface conducting due to the existence of metallic states that are localized on the surface; these are the topological surface states. Quaternary Bi-based compounds…
We use our high resolution He-lamp based, tunable laser-based ARPES measurements and density functional theory calculations to study the electronic properties of LaBi, a binary system that was proposed to be a member of a new family of…
Using spin- and angle- resolved photoemission spectroscopy (spin-ARPES) together with ${\it ab~initio}$ calculations, we demonstrate the existence of a type-II Dirac semimetal state in NiTe$_2$. We show that, unlike PtTe$_2$, PtSe$_2$, and…
Crystal engineering is a method for discovering new quantum materials and phases, which may be achieved by external pressure or strain. Chemical pressure is unique in that it generates internal pressure perpetually to the lattice. As an…
The electronic properties of $\pi$-conjugated two-dimensional (2D) polymers near the Fermi level are determined by structural topology and chemical composition. Thus, tight-binding (TB) calculations of the corresponding fundamental network…