Stability of the Local Ni$^{2+}$ Electronic Structure to $A$-site Disorder in the Pyrochlore Antiferromagnet NaCaNi$_2$F$_7$
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2026
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| _version_ | 1866918278342901760 |
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| author | DiScala, M. F. de la Torre, A. Krizan, J. W. Wouters, J. Bisogni, V. Pelliciari, J. Cava, R. J. Plumb, K. W. |
| author_facet | DiScala, M. F. de la Torre, A. Krizan, J. W. Wouters, J. Bisogni, V. Pelliciari, J. Cava, R. J. Plumb, K. W. |
| contents | NaCaNi$_2$F$_7$ is a unique example of spin-1 Heisenberg antiferromagnet on the pyrochlore lattice, but the presence of Na$^{1+}$/Ca$^{2+}$ $A$-site disorder complicates the local electronic and magnetic environment of the Ni$^{2+}$ $B$-site. We utilize resonant inelastic X-ray scattering (RIXS) to study the influence of $A$-site disorder on the $B$-site electronic structure of NaCaNi$_2$F$_7$. Ni L-edge RIXS measurements reveal a Ni$^{2+}$ electronic structure in nearly ideal octahedral coordination, with only a small trigonal compression ($δ$ = -200$\;$meV) required to capture all spectral features. Within the $D_{3d}$ symmetry of the Ni local environment, we extract an anisotropic $g$-factor of $g_{\parallel} = 2.26$ and $g_{\perp} = 2.27$, and a corresponding paramagnetic moment of $μ_{\rm{eff}}=3.2\;μ_B$. To simulate disorder, RIXS spectra were calculated with realistic distributions of crystal field parameters; however, these spectra are invariant relative to a disorder-free model, demonstrating the robustness of the Ni$^{2+}$ electronic environment to the $A$-site disorder, within the resolution of our measurement. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2601_05236 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Stability of the Local Ni$^{2+}$ Electronic Structure to $A$-site Disorder in the Pyrochlore Antiferromagnet NaCaNi$_2$F$_7$ DiScala, M. F. de la Torre, A. Krizan, J. W. Wouters, J. Bisogni, V. Pelliciari, J. Cava, R. J. Plumb, K. W. Strongly Correlated Electrons NaCaNi$_2$F$_7$ is a unique example of spin-1 Heisenberg antiferromagnet on the pyrochlore lattice, but the presence of Na$^{1+}$/Ca$^{2+}$ $A$-site disorder complicates the local electronic and magnetic environment of the Ni$^{2+}$ $B$-site. We utilize resonant inelastic X-ray scattering (RIXS) to study the influence of $A$-site disorder on the $B$-site electronic structure of NaCaNi$_2$F$_7$. Ni L-edge RIXS measurements reveal a Ni$^{2+}$ electronic structure in nearly ideal octahedral coordination, with only a small trigonal compression ($δ$ = -200$\;$meV) required to capture all spectral features. Within the $D_{3d}$ symmetry of the Ni local environment, we extract an anisotropic $g$-factor of $g_{\parallel} = 2.26$ and $g_{\perp} = 2.27$, and a corresponding paramagnetic moment of $μ_{\rm{eff}}=3.2\;μ_B$. To simulate disorder, RIXS spectra were calculated with realistic distributions of crystal field parameters; however, these spectra are invariant relative to a disorder-free model, demonstrating the robustness of the Ni$^{2+}$ electronic environment to the $A$-site disorder, within the resolution of our measurement. |
| title | Stability of the Local Ni$^{2+}$ Electronic Structure to $A$-site Disorder in the Pyrochlore Antiferromagnet NaCaNi$_2$F$_7$ |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2601.05236 |