{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/effective-point-charge-analysis-of-crystal","title":"Effective point-charge analysis of crystal electric fields -- application to rare-earth pyrochlores and tripod kagome magnets R3Mg2Sb3O14","arxiv_id":"2004.10957","date":"2020-04-23","proceeding":null,"authors":["Zhiling Dun","Xiaojian Bai","Matthew B. Stone","Haidong Zhou","Martin Mourigal"],"abstract":"An indispensable step to understand collective magnetic phenomena in rare-earth compounds is the determination of spatially-anisotropic single-ion properties resulting from spin-orbit coupling and crystal field (CF). The CF Hamiltonian has a discrete energy spectrum -- accessible to spectroscopic probes such as neutron scattering -- controlled by a number of independent parameters reflecting the point-symmetry of the magnetic sites. Determining these parameters in low-symmetry systems is often challenging. Here, we describe a general method to analyze CF excitation spectra using adjustable effective point-charges. We benchmark our method to existing neutron-scattering measurements on pyrochlore rare-earth oxides and obtain a universal point-charge model that describes a large family of related materials. We adapt this model to the newly discovered tripod Kagome magnets ($R_{3}$Mg$_2$Sb$_{3}$O$_{14}$, $R$ = Tb, Ho, Er, Yb) for which we report broadband inelastic neutron-scattering spectra. Analysis of these data using adjustable point-charges yields the CF wave-functions for each compound. From this, we calculate thermomagnetic properties that accurately reflect our measurements on powder samples, and predict the effective gyromagnetic tensor for pseudo-spin degrees of freedom -- a crucial step to understand the exotic collective properties of these kagome magnets at low temperature. We present further applications of our method to other tripod kagome materials and triangular rare-earth compounds $R$MgGaO$_4$ ($R$ =Yb, Tm). Overall, this study establishes a widely applicable methodology to predict CF and single-ion properties of rare-earth compounds based on interpretable and adjustable models of effective point-charges.","url_abs":"https://arxiv.org/abs/2004.10957v3","url_pdf":"https://arxiv.org/pdf/2004.10957v3.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"effective-point-charge-analysis-of-crystal","repo_url":"https://github.com/MourigalLab/PointChargeCEF","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"syntology_url":null,"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}