2020
DOI: 10.1038/s41524-020-0294-9
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Coexistence of nontrivial topological properties and strong ferromagnetic fluctuations in quasi-one-dimensional A2Cr3As3

Abstract: Superconductivity in crystals without inversion symmetry has received extensive attention due to its unconventional pairing and possible nontrivial topological properties. Using first-principles calculations, we systemically study the electronic structure of noncentrosymmetric superconductors A 2 Cr 3 As 3 (A=Na, K, Rb and Cs). Topologically protected triply degenerate points connected by one-dimensional arcs appear along the C 3 axis, coexisting with strong ferromagnetic (FM) fluctuations in the non-supercond… Show more

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Cited by 27 publications
(19 citation statements)
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References 82 publications
(93 reference statements)
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“…In conclusion, our results clearly show that the compounds of the family A 2 Cr 3 As 3 (A= Na, K, Rb, Cs) are close to an interchain FM instability, which is significantly affected by structural effects. Our analysis can thus prove to be relevant in the study of the interplay between magnetism and superconductivity experimentally detected in this class of compounds [38,45].…”
Section: Discussionmentioning
confidence: 83%
“…In conclusion, our results clearly show that the compounds of the family A 2 Cr 3 As 3 (A= Na, K, Rb, Cs) are close to an interchain FM instability, which is significantly affected by structural effects. Our analysis can thus prove to be relevant in the study of the interplay between magnetism and superconductivity experimentally detected in this class of compounds [38,45].…”
Section: Discussionmentioning
confidence: 83%
“…K 2 Cr 3 As 3 shows a weak ferromagnetic instability, consistent with experiments showing proximity to ferromagnetism. [13,44] In contrast, K 2 Mo 3 As 3 does not show any such instability. We also find an instability for distorted K 2 Cr 3 As 3 , but this is of ferrimagnetic nature where different Cr atoms in the reduced symmetry cell take different moments, mixing ferromagnetism and antiferromagnetism.…”
mentioning
confidence: 86%
“…This does not fully order, is affected by stoichiometry, including a tendency to take up H when K deficient, and does affect the magnetic, electronic and superconducting behavior. [38][39][40][41] This leads to wide variety of proposed electronic and superconducting states, including evidence for Tomonaga-Luttinger liquid physics, [42] spin-triplet superconductivity, [34,43] topological superconductivity [12,44] and nodal gap functions. [16,32,33,45] Here, we use first principles calculations to address the properties of K 2 Mo 3 As 3 .…”
mentioning
confidence: 99%
“…Earlier electronic structure calculations have shown that the low-energy properties are defined by a minimal three-band model, stemming mainly from the d z 2 , d xy , and d x 2 −y 2 orbitals of the Cr-atoms [39][40][41][42]. We adopt the three-band tight-binding model from Ref.…”
Section: Theoretical Calculationsmentioning
confidence: 99%