scholarly journals Symmetry-enforced topological nodal planes at the Fermi surface of a chiral magnet

Nature ◽  
2021 ◽  
Vol 594 (7863) ◽  
pp. 374-379
Author(s):  
Marc A. Wilde ◽  
Matthias Dodenhöft ◽  
Arthur Niedermayr ◽  
Andreas Bauer ◽  
Moritz M. Hirschmann ◽  
...  

AbstractDespite recent efforts to advance spintronics devices and quantum information technology using materials with non-trivial topological properties, three key challenges are still unresolved1–9. First, the identification of topological band degeneracies that are generically rather than accidentally located at the Fermi level. Second, the ability to easily control such topological degeneracies. And third, the identification of generic topological degeneracies in large, multisheeted Fermi surfaces. By combining de Haas–van Alphen spectroscopy with density functional theory and band-topology calculations, here we show that the non-symmorphic symmetries10–17 in chiral, ferromagnetic manganese silicide (MnSi) generate nodal planes (NPs)11,12, which enforce topological protectorates (TPs) with substantial Berry curvatures at the intersection of the NPs with the Fermi surface (FS) regardless of the complexity of the FS. We predict that these TPs will be accompanied by sizeable Fermi arcs subject to the direction of the magnetization. Deriving the symmetry conditions underlying topological NPs, we show that the 1,651 magnetic space groups comprise 7 grey groups and 26 black-and-white groups with topological NPs, including the space group of ferromagnetic MnSi. Thus, the identification of symmetry-enforced TPs, which can be controlled with a magnetic field, on the FS of MnSi suggests the existence of similar properties—amenable for technological exploitation—in a large number of materials.

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
J.-Z. Ma ◽  
Q.-S. Wu ◽  
M. Song ◽  
S.-N. Zhang ◽  
E. B. Guedes ◽  
...  

AbstractConstrained by the Nielsen-Ninomiya no-go theorem, in all so-far experimentally determined Weyl semimetals (WSMs) the Weyl points (WPs) always appear in pairs in the momentum space with no exception. As a consequence, Fermi arcs occur on surfaces which connect the projections of the WPs with opposite chiral charges. However, this situation can be circumvented in the case of unpaired WP, without relevant surface Fermi arc connecting its surface projection, appearing singularly, while its Berry curvature field is absorbed by nontrivial charged nodal walls. Here, combining angle-resolved photoemission spectroscopy with density functional theory calculations, we show experimentally that a singular Weyl point emerges in PtGa at the center of the Brillouin zone (BZ), which is surrounded by closed Weyl nodal walls located at the BZ boundaries and there is no Fermi arc connecting its surface projection. Our results reveal that nontrivial band crossings of different dimensionalities can emerge concomitantly in condensed matter, while their coexistence ensures the net topological charge of different dimensional topological objects to be zero. Our observation extends the applicable range of the original Nielsen-Ninomiya no-go theorem which was derived from zero dimensional paired WPs with opposite chirality.


2017 ◽  
Vol 13 (9) ◽  
pp. 4089-4100 ◽  
Author(s):  
Sarah Reimann ◽  
Alex Borgoo ◽  
Erik I. Tellgren ◽  
Andrew M. Teale ◽  
Trygve Helgaker

2011 ◽  
Vol 89 (9) ◽  
pp. 1150-1161 ◽  
Author(s):  
Dmitry Skachkov ◽  
Mykhaylo Krykunov ◽  
Tom Ziegler

We report here on an improved first principles method that can determine NMR shielding tensors for periodic systems. Our scheme evaluates the shielding tensor as the second derivative of the total electronic energy with respect to a nuclear magnetic moment and an external magnetic field. Both the induced current density J(α) due to the first perturbation from the nuclear magnetic moment as well as the interaction of J(α) with the second perturbation in the form of an external magnetic field are evaluated analytically. Our approach is based on Kohn–Sham density functional theory and gauge-including atomic orbitals. It employs a Bloch basis set made up of Slater-type or numeric atomic orbitals and represents the Kohn–Sham potential fully without the use of effective core potentials. The method is implemented into the periodic program BAND. The new scheme represents an improvement over a previously proposed method in that use can be made of the zero-order Kohn–Sham orbitals from a calculation based on a primitive cell instead of a supercell. Further, J(α) is evaluated analytically rather than by a finite difference approach. The improvements reduce the required computational time by up to two orders of magnitude for three-dimensional systems. Such a reduction is made possible by the fact that we are using atomic centered basis functions. The new implementation is further able to take into account scalar relativistic effects within the zero-order regular approximation. Results from calculations of NMR shielding constants based on the present approach are presented for systems with one-, two-, and three-dimensional periodicity. The reported values are compared to experiment and results from the previously proposed scheme.


2005 ◽  
Vol 28 (2-4) ◽  
pp. 125-134 ◽  
Author(s):  
Kristopher J. Ooms ◽  
Kirk W. Feindel ◽  
Mathew J. Willans ◽  
Roderick E. Wasylishen ◽  
John V. Hanna ◽  
...  

2016 ◽  
Vol 113 (9) ◽  
pp. 2366-2369 ◽  
Author(s):  
Xilian Jin ◽  
Xiao-Jia Chen ◽  
Tian Cui ◽  
Ho-kwang Mao ◽  
Huadi Zhang ◽  
...  

At room environment, all materials can be classified as insulators or metals or in-between semiconductors, by judging whether they are capable of conducting the flow of electrons. One can expect an insulator to convert into a metal and to remain in this state upon further compression, i.e., pressure-induced metallization. Some exceptions were reported recently in elementary metals such as all of the alkali metals and heavy alkaline earth metals (Ca, Sr, and Ba). Here we show that a compound of CLi4 becomes progressively less conductive and eventually insulating upon compression based on ab initio density-functional theory calculations. An unusual path with pressure is found for the phase transition from metal to semimetal, to semiconductor, and eventually to insulator. The Fermi surface filling parameter is used to describe such an antimetallization process.


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