A. Ciechan, P. Dłużewski, S. Kret, K. Gas, L. Scheffler, C. Gould, J. Kleinlein, M. Sawicki, L. W. Molenkamp, P. Bogusławski
{"title":"外延铜锰锑薄膜中反铁磁性立方多晶体和铁磁性四方多晶体的共存","authors":"A. Ciechan, P. Dłużewski, S. Kret, K. Gas, L. Scheffler, C. Gould, J. Kleinlein, M. Sawicki, L. W. Molenkamp, P. Bogusławski","doi":"10.1103/physrevb.110.014436","DOIUrl":null,"url":null,"abstract":"High-resolution transmission electron microscopy and superconducting quantum interference device magnetometry shows that epitaxial CuMnSb films exhibit a coexistence of two magnetic phases, coherently intertwined in nanometric scales. The dominant <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>α</mi></math> phase is half-Heusler cubic antiferromagnet with the Néel temperature of 62 K, the equilibrium structure of bulk CuMnSb. The secondary phase is its ferromagnetic tetragonal <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>β</mi></math> polymorph with the Curie temperature of about 100 K. First principles calculations provide a consistent interpretation of experiment, since (i) total energy of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>β</mi><mo>–</mo><mi>CuMnSb</mi></math> is higher than that of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>α</mi><mo>–</mo><mi>CuMnSb</mi></math> only by 0.12 eV per formula unit, which allows for epitaxial stabilization of this phase, (ii) the metallic character of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>β</mi><mo>–</mo><mi>CuMnSb</mi></math> favors the Ruderman-Kittel-Kasuya-Yoshida ferromagnetic coupling, and (iii) the calculated effective Curie-Weiss magnetic moment of Mn ions in both phases is about <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mn>5.5</mn><mspace width=\"0.16em\"></mspace><msub><mi>μ</mi><mi mathvariant=\"normal\">B</mi></msub></mrow></math>, favorably close to the measured value. Calculated properties of all point native defects indicate that the most likely to occur are <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>Mn</mi><mi>Cu</mi></msub></math> antisites. They affect magnetic properties of epilayers, but they cannot induce the ferromagnetic order in CuMnSb. Combined, the findings highlight a practical route towards fabrication of functional materials in which coexisting polymorphs provide complementing functionalities in one host.","PeriodicalId":20082,"journal":{"name":"Physical Review B","volume":null,"pages":null},"PeriodicalIF":3.7000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Coexistence of antiferromagnetic cubic and ferromagnetic tetragonal polymorphs in epitaxial CuMnSb films\",\"authors\":\"A. Ciechan, P. Dłużewski, S. Kret, K. Gas, L. Scheffler, C. Gould, J. Kleinlein, M. Sawicki, L. W. Molenkamp, P. Bogusławski\",\"doi\":\"10.1103/physrevb.110.014436\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"High-resolution transmission electron microscopy and superconducting quantum interference device magnetometry shows that epitaxial CuMnSb films exhibit a coexistence of two magnetic phases, coherently intertwined in nanometric scales. The dominant <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mi>α</mi></math> phase is half-Heusler cubic antiferromagnet with the Néel temperature of 62 K, the equilibrium structure of bulk CuMnSb. The secondary phase is its ferromagnetic tetragonal <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mi>β</mi></math> polymorph with the Curie temperature of about 100 K. First principles calculations provide a consistent interpretation of experiment, since (i) total energy of <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mi>β</mi><mo>–</mo><mi>CuMnSb</mi></math> is higher than that of <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mi>α</mi><mo>–</mo><mi>CuMnSb</mi></math> only by 0.12 eV per formula unit, which allows for epitaxial stabilization of this phase, (ii) the metallic character of <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mi>β</mi><mo>–</mo><mi>CuMnSb</mi></math> favors the Ruderman-Kittel-Kasuya-Yoshida ferromagnetic coupling, and (iii) the calculated effective Curie-Weiss magnetic moment of Mn ions in both phases is about <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mn>5.5</mn><mspace width=\\\"0.16em\\\"></mspace><msub><mi>μ</mi><mi mathvariant=\\\"normal\\\">B</mi></msub></mrow></math>, favorably close to the measured value. Calculated properties of all point native defects indicate that the most likely to occur are <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><msub><mi>Mn</mi><mi>Cu</mi></msub></math> antisites. They affect magnetic properties of epilayers, but they cannot induce the ferromagnetic order in CuMnSb. 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Coexistence of antiferromagnetic cubic and ferromagnetic tetragonal polymorphs in epitaxial CuMnSb films
High-resolution transmission electron microscopy and superconducting quantum interference device magnetometry shows that epitaxial CuMnSb films exhibit a coexistence of two magnetic phases, coherently intertwined in nanometric scales. The dominant phase is half-Heusler cubic antiferromagnet with the Néel temperature of 62 K, the equilibrium structure of bulk CuMnSb. The secondary phase is its ferromagnetic tetragonal polymorph with the Curie temperature of about 100 K. First principles calculations provide a consistent interpretation of experiment, since (i) total energy of is higher than that of only by 0.12 eV per formula unit, which allows for epitaxial stabilization of this phase, (ii) the metallic character of favors the Ruderman-Kittel-Kasuya-Yoshida ferromagnetic coupling, and (iii) the calculated effective Curie-Weiss magnetic moment of Mn ions in both phases is about , favorably close to the measured value. Calculated properties of all point native defects indicate that the most likely to occur are antisites. They affect magnetic properties of epilayers, but they cannot induce the ferromagnetic order in CuMnSb. Combined, the findings highlight a practical route towards fabrication of functional materials in which coexisting polymorphs provide complementing functionalities in one host.
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