arXiv subjects

Simon K. Moser

Publications and source records attributed to Simon K. Moser.

3 recordsLinked to original sources

arXiv2025

Prediction and observation of the first antiferromagnetic topological insulator

Magnetic topological insulators (MTIs) are narrow gap semiconductor materials that combine non-trivial band topology and magnetic order. Unlike their nonmagnetic counterparts, MTIs may have some of the surfaces gapped due to breaking the time-reversal symmetry, which enables a number of exotic phenomena having potential applications in spintronics. So far, MTIs have only been created by means of doping nonmagnetic TIs with 3d transition metal elements, however, such an approach leads to strongly inhomogeneous magnetic and electronic properties of these materials, restricting the observation of important effects to very low temperatures. Finding intrinsic MTI, i.e. a stoichiometric well-ordered magnetic compound, could be an ideal solution to these problems, but no such material was observed to date. Here, using density functional theory we predict and further confirm by means of structural, transport, magnetic, angle- and spin-resolved photoemission spectroscopy measurements the realization of the antiferromagnetic (AFM) TI phase, that is hosted by the van der Waals layered compound MnBi$_2$Te$_4$. An interlayer AFM ordering makes MnBi$_2$Te$_4$ invariant with respect to the combination of the time-reversal ($Θ$) and primitive-lattice translation ($T_{1/2}$) symmetries, $S = ΘT_{1/2}$, giving rise to the $Z_2$ topological classification of AFM insulators. We find $Z_2 = 1$ for MnBi$_2$Te$_4$, which confirms its topologically nontrivial nature. The $S$-breaking (0001) surface of MnBi$_2$Te$_4$ exhibits a giant bandgap in the topological surface state as evidenced by ab initio calculations and photoemission measurements. These results culminate almost a decade-long search of an AFMTI, predicted in 2010. Furthermore, MnBi$_2$Te$_4$ is the first intrinsic magnetic TI realized experimentally.

cond-mat.mtrl-sci↗

arXiv2020

Orbital Fingerprint of Topological Fermi Arcs in a Weyl Semimetal

The monopnictides TaAs and TaP are well-established Weyl semimetals. Yet, a precise assignment of Fermi arcs, accomodating the predicted chiral charge of the bulk Weyl points, has been difficult in these systems, and the topological character of different surface features in the Fermi surface is not fully understood. Here, employing a joint analysis from linear dichroism in angle-resolved photoemission and first-principles calculations, we unveil the orbital texture on the full Fermi surface of TaP(001). We observe pronounced switches in the orbital texture at the projectedWeyl nodes, and show how they facilitate a topological classification of the surface band structure. Our findings establish a critical role of the orbital degrees of freedom in mediating the surface-bulk connectivity in Weyl semimetals.

cond-mat.str-el↗

arXiv2018

Chemical Aspects of the Antiferromagnetic Topological Insulator MnBi$_{2}$Te$_{4}$

Crystal growth of MnBi$_{2}$Te$_{4}$ has delivered the first experimental corroboration of the 3D antiferromagnetic topological insulator state. Our present results confirm that the synthesis of MnBi$_{2}$Te$_{4}$ can be scaled-up and strengthen it as a promising experimental platform for studies of a crossover between magnetic ordering and non-trivial topology. High-quality single crystals of MnBi$_{2}$Te$_{4}$ are grown by slow cooling within a narrow range between the melting points of Bi$_{2}$Te$_{3}$ (586 °C) and MnBi$_{2}$Te$_{4}$ (600 °C). Single crystal X-ray diffraction and electron microscopy reveal ubiquitous antisite defects in both cation sites and, possibly, Mn vacancies. Powders of MnBi$_{2}$Te$_{4}$ can be obtained at subsolidus temperatures, and a complementary thermochemical study establishes a limited high-temperature range of phase stability. Nevertheless, quenched powders are stable at room temperature and exhibit long-range antiferromagnetic ordering below 24 K. The expected Mn(II) out-of-plane magnetic state is confirmed by the magnetization, X-ray photoemission, X-ray absorption and linear dichroism data. MnBi$_{2}$Te$_{4}$ exhibits a metallic type of resistivity in the range 4.5-300 K. The compound is an n-type conductor that reaches a thermoelectric figure of merit up to ZT = 0.17. Angle-resolved photoemission experiments provide evidence for a surface state forming a gapped Dirac cone.

cond-mat.mtrl-sci↗