No Arabic abstract
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.
We perform a systematic study of the Zitterbewegung effect of fermions, which are described by a Gaussian wave with broken spatial-inversion symmetry in a three-dimensional low-energy Weyl semimetal. Our results show that the motion of fermions near the Weyl points is characterized by rectilinear motion and Zitterbewegung oscillation. The ZB oscillation is affected by the width of the Gaussian wave packet, the position of the Weyl node, and the chirality and anisotropy of the fermions. By introducing a one-dimensional cosine potential, the new generated massless fermions have lower Fermi Velocities, which results in a robust relativistic oscillation. Modulating the height and periodicity of periodic potential demonstrates that the ZB effect of fermions in the different Brillouin zones exhibits quasi-periodic behavior. These results may provide an appropriate system for probing the Zitterbewegung effect experimentally.
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.
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$mathrm{_1}$ structure were obtained along the [110] direction. We consider compounds which exhibit phonon instabilities and compare them with their stable counterparts. The analysis of the electronic structure allows us to identify the characteristic features leading to structural instabilities. The phonon dispersions of the unstable compounds show that, while the acoustic modes tend to soften, the optical modes disperse in a way which is significantly different from that of the stable structures. The optical modes that appear to disperse at anomalously low frequencies are Raman active, which is considered an indication of a stronger polarizability of the unstable systems. We show that phonon instability of the TA$_{2}$ mode in Heusler alloys is driven by interaction(repulsion) with the low energy optical vibrations. The optical modes show their unusual behavior due to covalent interactions which are additional bonding features incommensurate with the dominating metallicity in Heusler compounds.
Detection of Dirac, Majorana and Weyl fermions in real materials may significantly strengthen the bridge between high-energy and condensed-matter physics. While the presence of Dirac fermions is well established in graphene and topological insulators, Majorana particles have been reported recently and evidence for Weyl fermions in non-centrosymmetric crystals has been found only a couple of months ago, the magnetic Weyl fermions are still elusive despite numerous theoretical predictions and intense experimental search. In order to detect a time-reversal symmetry breaking Weyl state we designed two materials with Fermi velocities superior to that of graphene and present here the experimental evidence of the realization of such a state in one of them, YbMnBi2. We model the time reversal symmetry breaking observed by magnetization measurements by a canted antiferromagnetic state and find a number of Weyl points both above and below the Fermi level. Using angle-resolved photoemission, we directly observe these latter Weyl points and a hallmark of the exotic state - the arc of the surface states which connects these points. Our results not only provide a fundamental link between the two areas of physics, but also demonstrate the practical way to design novel materials with exotic properties.
Density-functional studies of the electronic structures and exchange interaction parameters have been performed for a series of ferromagnetic full Heusler alloys of general formula Co$_2$MnZ (Z = Ga, Si, Ge, Sn), Rh$_2$MnZ (Z = Ge, Sn, Pb), Ni$_2$MnSn, Cu$_2$MnSn and Pd$_2$MnSn, and the connection between the electronic spectra and the magnetic interactions have been studied. Different mechanisms contributing to the exchange coupling are revealed. The band dependence of the exchange parameters, their dependence on volume and valence electron concentration have been thoroughly analyzed within the Green function technique.