Competing lattice structures induced by Sn substitution in CsV3Sb5
Abstract
Understanding the effect of chemical substitution on competing phases of kagome metals is crucial for disentangling the interplay between local structural distortions and electronic instabilities. In \cvs, Sn substitution strongly modifies the electronic phase diagram, yet the microscopic mechanism driving this remains unclear. Here, we combine 121Sb nuclear quadrupole resonance (NQR) measurements and density functional theory calculations to investigate the atomic-scale effects of Sn substitution in CsV3Sb5−xSnx. At low Sn concentrations, the observed satellite NQR peaks exhibit signatures of local structural distortion induced by Sn substitution, qualitatively consistent with our computational analysis. These impurity-induced features persist across the entire experimentally investigated doping range, up to x = 0.65, and remain observable up to room temperature. For x=1, the fully doped idealized case, the estimated dynamical instabilities of the kagome lattice suggest the stabilization of two nearly energy-degenerate equilibrium structures characterized by V-trimers, distinguished by a zero- or π-phase shift between adjacent layers along the c-axis. Together, these results show that Sn substitution drives a complex interplay between local impurity-induced distortions and competing structural instabilities in vanadium-based kagome compounds.
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BibTeX
@misc{kataria2026competing,
title = {{Competing lattice structures induced by Sn substitution in CsV$_3$Sb$_5$}},
author = {Anshu Kataria and Ilija K. Nikolov and Armando Consiglio and Giuseppe Allodi and Ginevra Corsale and Andrea Capa Salinas and Stephen D. Wilson and Domenico Di Sante and Vesna F. Mitrović and Samuele Sanna and Pietro Bonfà},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.03513},
eprint = {2609.03513},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.03513},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Competing lattice structures induced by Sn substitution in CsV_3Sb_5
AU - Anshu Kataria
AU - Ilija K. Nikolov
AU - Armando Consiglio
AU - Giuseppe Allodi
AU - Ginevra Corsale
AU - Andrea Capa Salinas
AU - Stephen D. Wilson
AU - Domenico Di Sante
AU - Vesna F. Mitrović
AU - Samuele Sanna
AU - Pietro Bonfà
PY - 2026
DA - 2026/09/03
PB - arXiv
DO - 10.48550/arxiv.2609.03513
UR - https://arxiv.org/abs/2609.03513
AB - Understanding the effect of chemical substitution on competing phases of kagome metals is crucial for disentangling the interplay between local structural distortions and electronic instabilities. In \cvs, Sn substitution strongly modifies the electronic phase diagram, yet the microscopic mechanism driving this remains unclear. Here, we combine ^121Sb nuclear quadrupole resonance (NQR) measurements and density functional theory calculations to investigate the atomic-scale effects of Sn substitution in CsV_3Sb_5−xSn_x. At low Sn concentrations, the observed satellite NQR peaks exhibit signatures of local structural distortion induced by Sn substitution, qualitatively consistent with our computational analysis. These impurity-induced features persist across the entire experimentally investigated doping range, up to x = 0.65, and remain observable up to room temperature. For x=1, the fully doped idealized case, the estimated dynamical instabilities of the kagome lattice suggest the stabilization of two nearly energy-degenerate equilibrium structures characterized by V-trimers, distinguished by a zero- or π-phase shift between adjacent layers along the c-axis. Together, these results show that Sn substitution drives a complex interplay between local impurity-induced distortions and competing structural instabilities in vanadium-based kagome compounds.
ER -