Lattice dynamics, topological phonons, and drumheadlike phononic surface states in ternary hexagonal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>KCu</mml:mi> <mml:mi>X</mml:mi> </mml:mrow> </mml:math> ( <mml:math xmln

Ternary potassium copper chalcogenides $\mathrm{KCu}X$ ($X=$ Se, Te) crystallizing in the hexagonal space group $P{6}_{3}/mmc$, are investigated for their topological phonon characteristics using ab initio techniques. The computed phonon dispersion relations exhibit multiple symmetry-enforced features, including high-degeneracy points and a nodal plane at the Brillouin zone boundary, consistent with the nonsymmorphic nature of the space group. Furthermore, a network of phononic nodal lines is identified, originating from the band crossings along high-symmetry paths and planes. These nodal lines are protected by crystalline symmetries such as mirror and rotational operations. To explore the topological consequences of these bulk features, we compute the surface phonon spectra, revealing the emergence of drumheadlike surface states that span the projections of the bulk nodal lines onto the surface Brillouin zone. These states indicate the nontrivial topological nature of the phonon bands. Our findings establish $\mathrm{KCu}X$ ($X=$ Se, Te) compounds as promising candidates for emergent topological phonon phases beyond the usual topology of the electronic structure.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-11-10
DOI
https://doi.org/10.1103/723p-3wb9
Primary Topic
Topological Materials and Phenomena
Type
article
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Lattice dynamics, topological phonons, and drumheadlike phononic surface states in ternary hexagonal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>KCu</mml:mi> <mml:mi>X</mml:mi> </mml:mrow> </mml:math> ( <mml:math xmln

G. Vaitheeswaran, T. Aiswarya, Andrzej Ptok
Physical review. B./Physical review. B
Topological Materials and Phenomena
article

Lattice dynamics, topological phonons, and drumheadlike phononic surface states in ternary hexagonal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>KCu</mml:mi> <mml:mi>X</mml:mi> </mml:mrow> </mml:math> ( <mml:math xmln

G. Vaitheeswaran, T. Aiswarya, Andrzej Ptok
article en

Abstract

Ternary potassium copper chalcogenides $\mathrm{KCu}X$ ($X=$ Se, Te) crystallizing in the hexagonal space group $P{6}_{3}/mmc$, are investigated for their topological phonon characteristics using ab initio techniques. The computed phonon dispersion relations exhibit multiple symmetry-enforced features, including high-degeneracy points and a nodal plane at the Brillouin zone boundary, consistent with the nonsymmorphic nature of the space group. Furthermore, a network of phononic nodal lines is identified, originating from the band crossings along high-symmetry paths and planes. These nodal lines are protected by crystalline symmetries such as mirror and rotational operations. To explore the topological consequences of these bulk features, we compute the surface phonon spectra, revealing the emergence of drumheadlike surface states that span the projections of the bulk nodal lines onto the surface Brillouin zone. These states indicate the nontrivial topological nature of the phonon bands. Our findings establish $\mathrm{KCu}X$ ($X=$ Se, Te) compounds as promising candidates for emergent topological phonon phases beyond the usual topology of the electronic structure.

Physical review. B./Physical review. BVol. 112(17)
University of Hyderabad (IN), Institute of Nuclear Physics, Polish Academy of Sciences (PL)
Openalex Percentile: Top 71%
Topological Materials and Phenomena
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Lattice dynamics, topological phonons, and drumheadlike phononic surface states in ternary hexagonal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi>KCu</mml:mi> <mml:mi>X</mml:mi> </mml:mrow> </mml:math> ( <mml:math xmln — G. Vaitheeswaran, T. Aiswarya, et al. · Physical review. B./Physical review. B (2025) | TGRS Research Map | TGRS