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Register a new userModel Hamiltonian and Time Reversal Breaking Topological Phases of Anti-ferromagnetic Half-Heusler Materials
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In this work, we construct a generalized Kane model with a new coupling term between itinerant electron spins and local magnetic moments of anti-ferromagnetic ordering in order to describe the low energy effective physics in a large family of anti-ferromagnetic half-Heusler materials. Topological properties of this generalized Kane model is studied and a large variety of topological phases, including Dirac semimetal phase, Weyl semimetal phase, nodal line semimetal phase, type-B triple point semimetal phase, topological mirror (or glide) insulating phase and anti-ferromagnetic topological insulating phase, are identified in different parameter regions of our effective models. In particular, we find that the system is always driven into the anti-ferromagnetic topological insulator phase once a bulk band gap is open, irrespective of the magnetic moment direction, thus providing a robust realization of anti-ferromagentic topological insulators. Furthermore, we discuss the possible realization of these topological phases in realistic anti-ferromagnetic half-Heusler materials. Our effective model provides a basis for the future study of physical phenomena in this class of materials.
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Fascinating phenomena have been known to arise from the Dirac theory of relativistic quantum mechanics, which describes high energy particles having linear dispersion relations. Electrons in solids usually have non-relativistic dispersion relations but their quantum excitations can mimic relativistic effects. In topological insulators, electrons have both a linear dispersion relation, the Dirac behavior, on the surface and a non-relativistic energy dispersion in the bulk. Topological phases of matter have attracted much interest, particularly broken-symmetry phases in topological insulator materials. Here, we report by Nb doping that the topological insulator Bi2Se3 can be turned into a bulk type-II superconductor while the Dirac surface dispersion in the normal state is preserved. A macroscopic magnetic ordering appears below the superconducting critical temperature of 3.2 K indicating a spontaneous spin rotation symmetry breaking of the Nb magnetic moments. Even though such a magnetic order may appear at the edge of the superconductor, it is mediated by superconductivity and presents a novel phase of matter which gives rise to a zero-field Hall effect.
Weyl fermions have recently been observed in several time-reversal-invariant semimetals and photonics materials with broken inversion symmetry. These systems are expected to have exotic transport properties such as the chiral anomaly. However, most discovered Weyl materials possess a substantial number of Weyl nodes close to the Fermi level that give rise to complicated transport properties. Here we predict, for the first time, a new family of Weyl systems defined by broken time-reversal symmetry, namely, Co-based magnetic Heusler materials XCo2Z (X = IVB or VB; Z = IVA or IIIA). To search for Weyl fermions in the centrosymmetric magnetic systems, we recall an easy and practical inversion invariant, which has been calculated to be -1, guaranteeing the existence of an odd number of pairs of Weyl fermions. These materials exhibit, when alloyed, only two Weyl nodes at the Fermi level - the minimum number possible in a condensed matter system. The Weyl nodes are protected by the rotational symmetry along the magnetic axis and separated by a large distance (of order 2$pi$) in the Brillouin zone. The corresponding Fermi arcs have been calculated as well. This discovery provides a realistic and promising platform for manipulating and studying the magnetic Weyl physics in experiments.
The second law of thermodynamics points to the existence of an `arrow of time, along which entropy only increases. This arises despite the time-reversal symmetry (TRS) of the microscopic laws of nature. Within quantum theory, TRS underpins many interesting phenomena, most notably topological insulators and the Haldane phase of quantum magnets. Here, we demonstrate that such TRS-protected effects are fundamentally unstable against coupling to an environment. Irrespective of the microscopic symmetries, interactions between a quantum system and its surroundings facilitate processes which would be forbidden by TRS in an isolated system. This leads not only to entanglement entropy production and the emergence of macroscopic irreversibility, but also to the demise of TRS-protected phenomena, including those associated with certain symmetry-protected topological phases. Our results highlight the enigmatic nature of TRS in quantum mechanics, and elucidate potential challenges in utilising topological systems for quantum technologies.
We report $^{59}$Co, $^{93}$Nb, and $^{121}$Sb nuclear magnetic resonance (NMR) measurements combined with density functional theory (DFT) calculations on a series of half-Heusler semiconductors, including NbCoSn, ZrCoSb, TaFeSb and NbFeSb, to better understand their electronic properties and general composition-dependent trends. These materials are of interest as potentially high efficiency thermoelectric materials. Compared to the other materials, we find that ZrCoSb tends to have a relatively large amount of local disorder, apparently antisite defects. This contributes to a small excitation gap corresponding to an impurity band near the band edge. In NbCoSn and TaFeSb, Curie-Weiss-type behavior is revealed, which indicates a small density of interacting paramagnetic defects. Very large paramagnetic chemical shifts are observed associated with a Van Vleck mechanism due to closely spaced $d$ bands splitting between the conduction and valence bands. Meanwhile, DFT methods were generally successful in reproducing the chemical shift trend for these half-Heusler materials, and we identify an enhancement of the larger-magnitude shifts, which we connect to electron interaction effects. The general trend is connected to changes in $d$-electron hybridization across the series.
Magnetotransport measurements are a popular way of characterizing the electronic structure of topological materials and often the resulting datasets cannot be described by the well-known Drude model due to large, non-parabolic contributions. In this work, we focus on the effects of magnetic fields on topological materials through a Zeeman term included in the model Hamiltonian. To this end, we re-evaluate the simplifications made in the derivations of the Drude model and pinpoint the scattering time and Fermi velocity as Zeeman-term dependent factors in the conductivity tensor. The driving mechanisms here are the aligment of spins along the magnetic field direction, which allows for backscattering, and a significant change to the Fermi velocity by the opening of a hybridization gap. After considering 2D and 3D Dirac states, as well as 2D Rashba surface states and the quasi-2D bulk states of 3D topological insulators, we find that the 2D Dirac states on the surfaces of 3D topological insulators produce magnetoresistance, that is significant enough to be noticable in experiments. As this magnetoresistance effect is strongly dependent on the spin-orbit energy, it can be used as a telltale sign of a Fermi energy located close to the Dirac point.
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