{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T02:44:24Z","timestamp":1760150664213,"version":"build-2065373602"},"reference-count":27,"publisher":"MDPI AG","issue":"24","license":[{"start":{"date-parts":[[2023,12,15]],"date-time":"2023-12-15T00:00:00Z","timestamp":1702598400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Materials"],"abstract":"<jats:p>The triangle-based magnetic subsystem of borates with the mineral norbergite structure M3BO6 (M = Fe, Cr, V) makes these compounds unique to investigate rare quantum ground states influenced by strong magnetic frustration. In this work, we investigated the thermal and magnetic properties of Cr3BO6 to find that despite very large negative Weiss temperature \u0398 = \u2212160.7 K, it orders only at TN = 4.5 K and experiences a spin-flop transition at \u00b50H = 5 T. Density functional theory (DFT) calculations of exchange interaction parameters allow for suggesting the model of magnetic subsystem in chromium borate Cr3BO6. The results prove the decisive role of magnetic frustration on the formation of long-range order, providing therefore a basis for future study. Both experimental data and first-principles calculations point to the coexistence of chromium spin-singlets with long-range antiferromagnetic order.<\/jats:p>","DOI":"10.3390\/ma16247662","type":"journal-article","created":{"date-parts":[[2023,12,15]],"date-time":"2023-12-15T08:12:57Z","timestamp":1702627977000},"page":"7662","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Thermodynamic Properties and DFT Study on Highly Frustrated Cr3BO6: Coexistence of Spin-Singlets with Long-Range Magnetic Order"],"prefix":"10.3390","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9860-8721","authenticated-orcid":false,"given":"Ekaterina S.","family":"Kozlyakova","sequence":"first","affiliation":[{"name":"Functional Quantum Materials Laboratory, National University of Science and Technology MISIS, 119049 Moscow, Russia"},{"name":"Lomonosov Moscow State University, 119991 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vladimir V.","family":"Korolev","sequence":"additional","affiliation":[{"name":"Functional Quantum Materials Laboratory, National University of Science and Technology MISIS, 119049 Moscow, Russia"},{"name":"Lomonosov Moscow State University, 119991 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8642-8371","authenticated-orcid":false,"given":"Peter S.","family":"Berdonosov","sequence":"additional","affiliation":[{"name":"Functional Quantum Materials Laboratory, National University of Science and Technology MISIS, 119049 Moscow, Russia"},{"name":"Lomonosov Moscow State University, 119991 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0008-0525","authenticated-orcid":false,"given":"Sergey I.","family":"Latushka","sequence":"additional","affiliation":[{"name":"SSPA \u201cScientific-Practical Materials Research Centre of NAS of Belarus\u201d, 220072 Minsk, Belarus"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nadezhda A.","family":"Lyubochko","sequence":"additional","affiliation":[{"name":"SSPA \u201cScientific-Practical Materials Research Centre of NAS of Belarus\u201d, 220072 Minsk, Belarus"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3558-6761","authenticated-orcid":false,"given":"Alexander N.","family":"Vasiliev","sequence":"additional","affiliation":[{"name":"Functional Quantum Materials Laboratory, National University of Science and Technology MISIS, 119049 Moscow, Russia"},{"name":"Lomonosov Moscow State University, 119991 Moscow, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,12,15]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1038\/nature08917","article-title":"Spin liquids in frustrated magnets","volume":"464","author":"Balents","year":"2010","journal-title":"Nature"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1103\/PhysRev.79.357","article-title":"Antiferromagnetism. 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