arXiv subjects

Joao Elias F. S. Rodrigues

Publications and source records attributed to Joao Elias F. S. Rodrigues.

3 recordsLinked to original sources

arXiv2026

Ab Initio Investigation of Pressure Effects in the Spin-Liquid Candidate Y-Kapellasite

Motivated by recent experiments showing pressure-induced suppression of magnetic order and the emergence of a dynamical ground state in the anisotropic kagome antiferromagnet Y-kapellasite Y3Cu9(OH)19Cl8, we perform ab initio density functional theory (DFT)calculations to investigate the evolution of magnetic exchange interactions under hydrostatic pressure. We show that pressure efficiently tunes the magnetic Hamiltonian by altering the CuOCu bond geometry, thereby driving the system towards a spin-liquid regime. This evolution is governed by a nonlinear dependence of the dominant exchange coupling on the CuOCu bond angle. We further examine the influence of hydrogen positions and find that both the OH bond length and the hydrogen out-of-plane angle strongly affect the magnetic interactions. Our results provide a microscopic explanation for the experimentally observed pressure-induced enhancement of frustration and highlight the key role of hydrogen geometry.

cond-mat.str-el↗

arXiv2026

Emergence of a Fluctuating Ground State in Y-kapellasite under Pressure

Y-kapellasite (Y$_3$Cu$_9$(OH)$_{19}$Cl$_8$), which hosts an original anisotropic kagome sublattice, is a promising candidate for studying elusive and complex correlated physics. It exhibits a theoretically predicted in-plane $(1/3, 1/3)$ magnetic order [1] but its magnetic interaction values place it close to a phase boundary to a spin liquid state [2]. Our $μ$SR measurements under hydrostatic pressure demonstrate the complete suppression of static magnetism in favor of a fully dynamical ground state at $2.3$~GPa. Complementary high-pressure x-ray and optical phonon measurements reveal a gradual reduction of the kagome anisotropy, enhancing magnetic frustration without structural transitions. Our results establish Y-kapellasite as a rare clean kagome model in which long-range order is suppressed by pressure-tuned frustration, the first fingerprint for the realization of a quantum spin liquid without strong disorder.

cond-mat.str-el↗

arXiv2024

Local electronic properties of La3Ni2O7 under pressure

The recent discovery of superconductivity in $\rm La_3Ni_2O_7$ has attracted significant attention due to its high critical temperature and analogy to cuprate oxides. The oxidation and spin states of Ni ions are among the most important local properties in this compound, extensively discussed in the context of its superconductivity. Despite their direct link to the electron filling configurations of the relevant $\rm 3d_{x^2-y^2}$ and $\rm 3d_{z^2}$ orbitals, these local electronic properties of $\rm La_3Ni_2O_7$ yet to be systematically investigated. In this work, we address this issue using x-ray absorption spectroscopy (XAS) and x-ray emission spectroscopy (XES) measurements under pressure. Comparison of Ni \textit{K}-edge XAS and $\rm Kβ$ XES with the reference spectra of $\rm NiO$ and $\rm LaNiO_3$ shows that Ni ions, with an average valence of $\sim 2.53+$, are in a low-spin ($\rm S = 1/2$) ground state under ambient conditions. High pressure XAS and XES data clearly show that the oxidation ($\sim 2.5+$) and spin ($\rm S = 1/2$) states of Ni ions remain stable across the investigated pressure (up to 30 GPa) and temperature (down to 10 K) ranges, ruling out previously proposed spin transition scenarios.

cond-mat.supr-con↗