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Multi-phase materials are key for modern engineering applications. They are generally characterized by a high strength and ductility. Many of these materials fail by ductile fracture of the, generally softer, matrix phase. In this work we…
For quantum electronics, the possibility to finely tune the properties of magnetic topological insulators (TIs) is a key issue. We studied solid solutions between two isostructural Z$_2$ TIs, magnetic MnBi$_2$Te$_4$ and nonmagnetic…
Complex quantum coupling phenomena of halide perovskites are examined through ab-initio calculations and exact diagonalization of model Hamiltonians to formulate a set of fundamental guiding rules to engineer the bandgap through strain. The…
The electronic band structure of Bi is calculated using state of the art electronic structure methods, including density functional theory and G$_0$W$_0$ quasiparticle approximations. The delicate ordering of states at the L point of the…
In this work, we have investigated the electronic structure and thermoelectric properties of quaternary heusler alloy, FeRuTiSi, using first principle DFT tools implemented in WIEN2k and BoltzTraP code. Electronic structure calculations…
We investigate the electronic structure of tungsten ditelluride (WTe$_2$) flakes with different thicknesses in magneto-transport studies. The temperature-dependent resistance and magnetoresistance (MR) measurements both confirm the breaking…
Magnetic transition metal chalcogenides form an emerging platform for exploring spin-orbit driven Berry phase phenomena owing to the nontrivial interplay between topology and magnetism. Here we show that the anomalous Hall effect in…
Recently discovered Weyl semimetals (WSM) have found special place in topological condensed matter studies for they represent first example of massless Weyl fermions found in condensed matter systems. A WSM shows gapless bulk energy spectra…
First-principles calculations for carbyne under strain predict that the Peierls transition from symmetric cumulene to broken-symmetry polyyne structure is enhanced as the material is stretched. Interpretation within a simple and instructive…
Group-5 transition metal ditellurides $M$Te$_2$ ($M$ = V, Nb, Ta) are unique CdI$_2$-type layered materials that exhibit peculiar quasi-one-dimensional intralayer superstructures, known as ribbon-chains and butterfly-like clusters of $M$…
One of the most significant breakthroughs in physics of the last decade has been the discovery that materials with non-trivial topological properties for electronic, electromagnetic, acoustic and mechanical responses can be designed and…
Layered transition metal chalcogenides are promising hosts of electronic Weyl nodes and topological superconductivity. MoTe$_2$ is a striking example that harbors both noncentrosymmetric T$_d$ and centrosymmetric T' phases, both of which…
Strain is ubiquitous in solid-state materials, but despite its fundamental importance and technological relevance, leveraging externally applied strain to gain control over material properties is still in its infancy. In particular, strain…
Magnetotransport and magneto-optics experiments offer a very powerful probe for studying the physical properties of materials. Here, we investigate the second-order nonlinear magnetoconductivity of tilted type-I Weyl and multi-Weyl…
The interplay between band topology and magnetic order plays a key role in quantum states of matter. MnBi2Te4, a van der Waals magnet, has recently emerged as an exciting platform for exploring Chern insulator physics. Its layered…
Many properties of photonic structures rely on band topology characterized by the integer invariants that can change during the topological transitions and give rise to the disorder-robust topological edge, corner, or interface states.…
Tensile strained bulk HgTe is a three-dimensional topological insulator. Because of the energetic position of its surface state Dirac points relative to its small bulk gap, the electronic properties of the relatively thin MBE-grown films…
We study the topological properties of 3D Floquet bandstructures, which are defined using unitary evolution matrices rather than Hamiltonians. Previously, 2D bandstructures of this sort have been shown to exhibit anomalous topological…
Metals with values of the resistivity and the Hall coefficient much larger than typical ones, e.g., of sodium, are called semimetals. We suggest a model for semimetals which takes into account the strong Coulomb repulsion of the charge…
In metallic condensed matter systems two different types of Weyl fermions can in principle emerge, with either a vanishing (type-I) or with a finite (type-II) density of states at the Weyl node energy. So far only WTe2 and MoTe2 were…