Correlation stabilized ferromagnetic MnRuAs with distorted kagome lattice

Fuente: arXiv
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Autores principales: C V, Anusree, Ptok, Andrzej, Sobieszczyk, Paweł, Vaitheeswaran, G., Kanchana, V.
Formato: Preprint
Publicado: 2025
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author C V, Anusree
Ptok, Andrzej
Sobieszczyk, Paweł
Vaitheeswaran, G.
Kanchana, V.
author_facet C V, Anusree
Ptok, Andrzej
Sobieszczyk, Paweł
Vaitheeswaran, G.
Kanchana, V.
contents We present an in-depth analysis of MnRuAs, a compound crystallizing in the P$\bar{6}$2m symmetry with a distorted kagome lattice, revealing its distinctive structural, magnetic, and electronic properties through state-of-the-art ab initio calculations. By incorporating strong correlation effects using the DFT+U approach, we demonstrate the stabilization of MnRuAs, transforming its inherent dynamical instability into a robust ferromagnetic state with significant coupling along the $c$ axis. The calculated magnon dispersion reveals a parabolic profile with a minimum at the $Γ$ point, indicative of ferromagnetic behavior. Furthermore, MnRuAs exhibits intriguing electronic properties, including quasi-one-dimensional Fermi surface and the formation of nodal sphere. Our study also delves into the electronic surface states and constant energy contours, offering valuable insights into the complex physics of this material.
format Preprint
id arxiv_https___arxiv_org_abs_2501_07412
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Correlation stabilized ferromagnetic MnRuAs with distorted kagome lattice
C V, Anusree
Ptok, Andrzej
Sobieszczyk, Paweł
Vaitheeswaran, G.
Kanchana, V.
Materials Science
Strongly Correlated Electrons
We present an in-depth analysis of MnRuAs, a compound crystallizing in the P$\bar{6}$2m symmetry with a distorted kagome lattice, revealing its distinctive structural, magnetic, and electronic properties through state-of-the-art ab initio calculations. By incorporating strong correlation effects using the DFT+U approach, we demonstrate the stabilization of MnRuAs, transforming its inherent dynamical instability into a robust ferromagnetic state with significant coupling along the $c$ axis. The calculated magnon dispersion reveals a parabolic profile with a minimum at the $Γ$ point, indicative of ferromagnetic behavior. Furthermore, MnRuAs exhibits intriguing electronic properties, including quasi-one-dimensional Fermi surface and the formation of nodal sphere. Our study also delves into the electronic surface states and constant energy contours, offering valuable insights into the complex physics of this material.
title Correlation stabilized ferromagnetic MnRuAs with distorted kagome lattice
topic Materials Science
Strongly Correlated Electrons
url https://arxiv.org/abs/2501.07412