Origin of charge density wave in topological semimetals SrAl4 and EuAl4

Wang, Lin-Lin; Nepal, Niraj K.; Canfield, Paul C.

doi:10.1038/s42005-024-01600-1

Origin of charge density wave in topological semimetals SrAl₄ and EuAl₄

Journal Article · Fri Mar 29 00:00:00 EDT 2024 · Communications Physics

DOI:https://doi.org/10.1038/s42005-024-01600-1· OSTI ID:2337484

^[1]; Nepal, Niraj K. ^[1]; ^[2]

Ames Laboratory (AMES), Ames, IA (United States)
Ames Laboratory (AMES), Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Topological semimetals in BaAl₄-type structure show many interesting behaviors, such as charge density wave (CDW) in SrAl₄ and EuAl₄, but not the isostructural and isovalent BaAl₄, SrGa₄, and BaGa₄. Here using Wannier functions based on density functional theory, we calculate the susceptibility functions with millions of k-points to reach the small q-vector and study the origin and driving force behind the CDW. Our comparative study reveals that the origin of the CDW in SrAl₄ and EuAl₄ is the strong electron-phonon coupling interaction for the transverse acoustic mode at small q-vector along the Γ-Z direction besides the maximum of the real part of the susceptibility function from the nested Fermi surfaces of the Dirac-like bands, which explains well the absence of CDW in the other closely related compounds in a good agreement with experiment. We also connect the different CDW behaviors in the Al compounds to the macroscopic elastic properties.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 2337484

Report Number(s):: IS-J--11,302

Journal Information:: Communications Physics, Journal Name: Communications Physics Journal Issue: 1 Vol. 7; ISSN 2399-3650

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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