2018
DOI: 10.1038/s41598-018-28644-y
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Tunable double-Weyl Fermion semimetal state in the SrSi2 materials class

Abstract: We discuss first-principles topological electronic structure of noncentrosymmetric SrSi2 materials class based on the hybrid exchange-correlation functional. Topological phase diagram of SrSi2 is mapped out as a function of the lattice constant with focus on the semimetal order. A tunable double-Weyl Fermion state in Sr1−xCaxSi2 and Sr1−xBaxSi2 alloys is identified. Ca doping in SrSi2 is shown to yield a double-Weyl semimetal with a large Fermi arc length, while Ba doping leads to a transition from the topolog… Show more

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Cited by 46 publications
(33 citation statements)
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“…For generalizations of Weyl bands with higher Chern numbers, [ 7,23,54,55,56,57 ] the shape of σ1IB(ω) depends on the band dispersion relations. In the so‐called multifold semimetals, where a few linear (rotationally symmetric) bands with generally different slopes cross at a given point of the BZ, [ 7,23 ] the optical conductivity is linear in frequency (up to the steps, related to the Pauli‐blocked transitions).…”
Section: Theoretical Background: Electronic Band Dispersion and Opticmentioning
confidence: 99%
“…For generalizations of Weyl bands with higher Chern numbers, [ 7,23,54,55,56,57 ] the shape of σ1IB(ω) depends on the band dispersion relations. In the so‐called multifold semimetals, where a few linear (rotationally symmetric) bands with generally different slopes cross at a given point of the BZ, [ 7,23 ] the optical conductivity is linear in frequency (up to the steps, related to the Pauli‐blocked transitions).…”
Section: Theoretical Background: Electronic Band Dispersion and Opticmentioning
confidence: 99%
“…The double-WSM state has been theoretically predicted recently in non-centrosymmetric SrSi 2 [53,54]. More importantly, it has been shown considering a time reversal symmetry invariant WSM lattice model that quantization in CPGE is substantially different from a time reversal broken WSM [55].…”
Section: Introductionmentioning
confidence: 84%
“…It would be especially interesting to see both the magnetic and pseudomagnetic sound dichroism by flipping the direction of the sound propagation with respect to the field, as well as to observe the reduction of the attenuation coefficient for the sound propagating along the field. As possible material candidates, transition metal monopnictides TaAs, TaP, NbAs, and NbP [4], the magnetic compound EuCd 2 As 2 [69,70], and SrSi 2 [56,57] could be used. The magnetic material EuCd 2 As 2 is a promising candidate for the investigation of the pseudomagnetic sound dichroism since it breaks the time-reversal symmetry and contains only a single pair of Weyl nodes.…”
Section: Summary and Discussionmentioning
confidence: 99%
“…where ǫ α = ǫ α (p α ) is the energy dispersion in the absence of deformations at the node α and b 0 quantifies the separation between the Weyl nodes in energy space. For example, the Weyl nodes of opposite chiralities are located at different energies in SrSi 2 [56,57]. In the case of the effective Hamiltonian given in Eq.…”
Section: A Model Of Weyl Semimetalmentioning
confidence: 99%