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We present an analysis of bulk and surface electronic structures of thallium based ternary III-V-VI$_2$ series of compounds TlMQ$_2$, where M=Bi or Sb and Q=S, Se or Te, using the ab initio density functional theory framework. Based on…

Weyl metal is the first example of a conducting material with a nontrivial electronic structure topology, making it distinct from an ordinary metal. Unlike in insulators, the nontrivial topology is not related to invariants, associated with…

Using topological band theory analysis we show that the nonsymmorphic symmetry operations in hexagonal lattices enforce Weyl points at the screw-invariant high-symmetry lines of the band structure. The corepresentation theory and…

The past decade has witnessed the burgeoning discovery of a variety of topological states of matter with distinct nontrivial band topologies. Thus far, most of materials studied possess two-dimensional or three-dimensional electronic…

Characterized by the absence of inversion symmetry, non-centrosymmetric materials are of great interest because they exhibit ferroelectricity, second harmonic generation, emergent Weyl fermions, and other fascinating phenomena. It is…

Preceded by the discovery of topological insulators, Dirac and Weyl semimetals have become a pivotal direction of research in contemporary condensed matter physics. While easily accessible from a theoretical viewpoint, these topological…

$\mathsf{Mn_{3}Sn}$ has recently attracted considerable attention as a magnetic Weyl semimetal exhibiting concomitant transport anomalies at room temperature. The topology of the electronic bands, their relation to the magnetic ground state…

Topological effects arising from the Berry curvature lead to intriguing transport signatures in quantum materials. Two such phenomena are the chiral anomaly and nonlinear Hall effect (NLHE). A unified description of these transport regimes…

We introduce the concept of tetris chains, which are linear arrays of 4-site molecules that differ by their intermolecular hopping geometry. We investigate the fermionic symmetry-protected topological Haldane phase in these systems using…

A Weyl node is characterized by its chirality and tilt. We develop a theory of how $n$th-order nonlinear optical conductivity behaves under transformations of anisotropic tensor and tilt, which clarify how chirality-dependent and…

Using first-principles electronic structure calculations based on density functional theory (DFT), we investigate the structural, electronic and magnetic properties of the layered ternary manganese tellurides: AMnTe2 (A = K, Rb, and Cs).…

Topological metals are special conducting materials with gapless band structures and nontrivial edge-localized resonances, whose discovery has proved elusive because the traditional topological classification methods do not apply in this…

Half-Heusler compounds are known for their various compositions and multifunctional properties including topological phases. In this study, we investigate the topological classification of this class of materials based on the ordering of…

Currently, topological semimetals are being actively investigated from both theoretical and experimental perspectives due to their unique physical properties, including topologically protected states, large magnetoresistivity, and high…

Rare-earth tritellurides (RTe3) are popular for their charge density wave (CDW) phase, magnetotransport properties and pressure induced superconducting state among other features. In this literature, Density functional theory has been…

Ground-state structure is found and pressure-induced phase transitions up to 210 kbar are studied in mercury titanate from first principles within the density functional theory. It is established that the $R3c$ structure experimentally…

In this article, we report emergence of topological phase in XMR material TmSb under hydrostatic pressure using first principles calculations. We find that TmSb, a topologically trivial semimetal, undergoes a topological phase transition…

For materials near the phase boundary between weak and strong topological insulators (TIs), their band topology depends on the band alignment, with the inverted (normal) band corresponding to the strong (weak) TI phase. Here, taking the…

A unique co-existence of extremely large magnetoresistance (XMR) and topological characteristics in non-magnetic rare-earth monopnictides stimulating intensive research on these materials. Yttrium monobismuthide (YBi) has been reported to…

The past decades have witnessed a transformation in characterizing condensed matter systems with topology. Aided by a refined understanding of topological band structures with crystalline symmetries that has emerged recently, many…