Reinhard K. Kremer, Sebastian Bette, Jürgen Nuss, Pascal Puphal
{"title":"Chemical and structural disorder in the kagome spin S=12 systems ZnCu3(OH)6Cl2 and YCu3(OH)6Br2[Brx(OH)1−x]","authors":"Reinhard K. Kremer, Sebastian Bette, Jürgen Nuss, Pascal Puphal","doi":"10.1103/physrevb.111.024424","DOIUrl":null,"url":null,"abstract":"By single crystal diffraction we characterize the chemostructural disorder introduced by Zn-Cu site mixing in the kagome spin S</a:mi>=</a:mo>1</a:mn>2</a:mn></a:mfrac></a:mrow></a:math> systems herbertsmithite <b:math xmlns:b=\"http://www.w3.org/1998/Math/MathML\"><b:mrow><b:msub><b:mi>ZnCu</b:mi><b:mn>3</b:mn></b:msub><b:msub><b:mrow><b:mo>(</b:mo><b:mi>OH</b:mi><b:mo>)</b:mo></b:mrow><b:mn>6</b:mn></b:msub><b:msub><b:mi>Cl</b:mi><b:mn>2</b:mn></b:msub></b:mrow></b:math> and <c:math xmlns:c=\"http://www.w3.org/1998/Math/MathML\"><c:mrow><c:msub><c:mi>YCu</c:mi><c:mn>3</c:mn></c:msub><c:msub><c:mrow><c:mo>(</c:mo><c:mi>OH</c:mi><c:mo>)</c:mo></c:mrow><c:mn>6</c:mn></c:msub><c:msub><c:mi>Br</c:mi><c:mn>2</c:mn></c:msub><c:msub><c:mrow><c:mo>[</c:mo><c:mi>Br</c:mi></c:mrow><c:mi>x</c:mi></c:msub><c:msub><c:mrow><c:mo>(</c:mo><c:mi>OH</c:mi><c:mo>)</c:mo></c:mrow><c:mrow><c:mn>1</c:mn><c:mo>−</c:mo><c:mi>x</c:mi></c:mrow></c:msub></c:mrow><c:mo>]</c:mo></c:math>. For an untwinned single crystal of herbertsmithite of composition <d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:mrow><d:msub><d:mi>Zn</d:mi><d:mrow><d:mn>0.95</d:mn><d:mo>(</d:mo><d:mn>1</d:mn><d:mo>)</d:mo></d:mrow></d:msub><d:msub><d:mi>Cu</d:mi><d:mrow><d:mn>2.99</d:mn><d:mo>(</d:mo><d:mn>3</d:mn><d:mo>)</d:mo></d:mrow></d:msub><d:msub><d:mi mathvariant=\"normal\">O</d:mi><d:mrow><d:mn>5.9</d:mn><d:mo>(</d:mo><d:mn>1</d:mn><d:mo>)</d:mo></d:mrow></d:msub><d:msub><d:mi mathvariant=\"normal\">H</d:mi><d:mrow><d:mn>5.8</d:mn><d:mo>(</d:mo><d:mn>1</d:mn><d:mo>)</d:mo></d:mrow></d:msub><d:msub><d:mi>Cl</d:mi><d:mn>2</d:mn></d:msub></d:mrow></d:math> we find substitution by Cu of the Zn atoms in the layers separating the kagome layers as well as substantial Zn substitution for Cu in the kagome layers. In <g:math xmlns:g=\"http://www.w3.org/1998/Math/MathML\"><g:mrow><g:msub><g:mi>YCu</g:mi><g:mn>3</g:mn></g:msub><g:msub><g:mrow><g:mo>(</g:mo><g:mi>OH</g:mi><g:mo>)</g:mo></g:mrow><g:mn>6</g:mn></g:msub><g:msub><g:mi>Br</g:mi><g:mn>2</g:mn></g:msub><g:msub><g:mrow><g:mo>[</g:mo><g:mi>Br</g:mi></g:mrow><g:mi>x</g:mi></g:msub><g:msub><g:mrow><g:mo>(</g:mo><g:mi>OH</g:mi><g:mo>)</g:mo></g:mrow><g:mrow><g:mn>1</g:mn><g:mo>−</g:mo><g:mi>x</g:mi></g:mrow></g:msub></g:mrow><g:mo>]</g:mo></g:math> site mixing disorder is present for intermediate <h:math xmlns:h=\"http://www.w3.org/1998/Math/MathML\"><h:mi>x</h:mi></h:math>. Analogous to the Cl homologous system in crystals with <i:math xmlns:i=\"http://www.w3.org/1998/Math/MathML\"><i:mrow><i:mi>x</i:mi><i:mo>=</i:mo><i:mn>1</i:mn><i:mo>/</i:mo><i:mn>3</i:mn></i:mrow></i:math> disorder is absent and a low-temperature structural transition emerges driven by strong magnetophonon coupling as a release of frustration. Apart from this structural anomaly we find the physical properties of these crystals unchanged compared to intermediate <j:math xmlns:j=\"http://www.w3.org/1998/Math/MathML\"><j:mi>x</j:mi></j:math> and closely resembling the Cl homologue where long-range magnetic order was observed. <jats:supplementary-material> <jats:copyright-statement>Published by the American Physical Society</jats:copyright-statement> <jats:copyright-year>2025</jats:copyright-year> </jats:permissions> </jats:supplementary-material>","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":"6 1","pages":""},"PeriodicalIF":3.7000,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Review B","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1103/physrevb.111.024424","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Physics and Astronomy","Score":null,"Total":0}
引用次数: 0
Abstract
By single crystal diffraction we characterize the chemostructural disorder introduced by Zn-Cu site mixing in the kagome spin S=12 systems herbertsmithite ZnCu3(OH)6Cl2 and YCu3(OH)6Br2[Brx(OH)1−x]. For an untwinned single crystal of herbertsmithite of composition Zn0.95(1)Cu2.99(3)O5.9(1)H5.8(1)Cl2 we find substitution by Cu of the Zn atoms in the layers separating the kagome layers as well as substantial Zn substitution for Cu in the kagome layers. In YCu3(OH)6Br2[Brx(OH)1−x] site mixing disorder is present for intermediate x. Analogous to the Cl homologous system in crystals with x=1/3 disorder is absent and a low-temperature structural transition emerges driven by strong magnetophonon coupling as a release of frustration. Apart from this structural anomaly we find the physical properties of these crystals unchanged compared to intermediate x and closely resembling the Cl homologue where long-range magnetic order was observed. Published by the American Physical Society2025
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