Andy Paul Chen, Wei Nong, Maung Thway, Jose Recatala-Gomez, Haiwen Dai, Wenhao Zhai, D. V. Maheswar Repaka, Kedar Hippalgaonkar
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In particular, defect chalcopyrites related to the thermoelectric compound <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>CuInTe</mi><mn>2</mn></msub></math> comprise a large range of compositions in the pseudobinary system <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mo>(</mo><msub><mi>Cu</mi><mn>2</mn></msub><mi>Te</mi><mo>)</mo></mrow><mi>x</mi></msub><msub><mrow><mo>(</mo><msub><mi>In</mi><mn>2</mn></msub><msub><mi>Te</mi><mn>3</mn></msub><mo>)</mo></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></mrow></math>, where <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>x</mi><mo><</mo><mn>0.5</mn></mrow></math>. In contrast, the converse case of “augmented chalcopyrites,” namely, <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>x</mi><mo>></mo><mn>0.5</mn></mrow></math>, is much less known or studied. We report the discovery of a range of <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mi>Cu</mi><mn>2</mn></msub><mi>Te</mi></mrow></math>-rich compositions in this binary system where stable phases can potentially be found. Here, the stoichometry of augmented chalcopyrites is likely to be modulated by the concentration of defect clusters <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msup><mrow><mo>[</mo><msubsup><mrow><mi>Cu</mi></mrow><mtext>In</mtext><mrow><mn>2</mn><mo>−</mo></mrow></msubsup><mo>·</mo><mn>2</mn><msubsup><mi>Cu</mi><mi>i</mi><mo>+</mo></msubsup><mo>]</mo></mrow><mn>0</mn></msup></math> in chalcopyrite <math xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>CuInTe</mi><mn>2</mn></msub></math>.","PeriodicalId":20545,"journal":{"name":"Physical Review Materials","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Augmented chalcopyrites: A search for new Cu-In-Te phases\",\"authors\":\"Andy Paul Chen, Wei Nong, Maung Thway, Jose Recatala-Gomez, Haiwen Dai, Wenhao Zhai, D. V. Maheswar Repaka, Kedar Hippalgaonkar\",\"doi\":\"10.1103/physrevmaterials.8.083801\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Chalcopyrites are ternary crystalline compounds which have found use in a diverse array of applications, from solar cells to thermoelectric devices. These are known to be ternary-compound analogs to diamond or sphalerite. “Defect chalcopyrites,” which are chalcopyrite structures stabilized with ordered vacancies and substitutions, are well attested and can serve as a method of tuning material properties through control of stoichiometry. In particular, defect chalcopyrites related to the thermoelectric compound <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><msub><mi>CuInTe</mi><mn>2</mn></msub></math> comprise a large range of compositions in the pseudobinary system <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><msub><mrow><mo>(</mo><msub><mi>Cu</mi><mn>2</mn></msub><mi>Te</mi><mo>)</mo></mrow><mi>x</mi></msub><msub><mrow><mo>(</mo><msub><mi>In</mi><mn>2</mn></msub><msub><mi>Te</mi><mn>3</mn></msub><mo>)</mo></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></mrow></math>, where <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>x</mi><mo><</mo><mn>0.5</mn></mrow></math>. In contrast, the converse case of “augmented chalcopyrites,” namely, <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><mi>x</mi><mo>></mo><mn>0.5</mn></mrow></math>, is much less known or studied. We report the discovery of a range of <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><mrow><msub><mi>Cu</mi><mn>2</mn></msub><mi>Te</mi></mrow></math>-rich compositions in this binary system where stable phases can potentially be found. Here, the stoichometry of augmented chalcopyrites is likely to be modulated by the concentration of defect clusters <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><msup><mrow><mo>[</mo><msubsup><mrow><mi>Cu</mi></mrow><mtext>In</mtext><mrow><mn>2</mn><mo>−</mo></mrow></msubsup><mo>·</mo><mn>2</mn><msubsup><mi>Cu</mi><mi>i</mi><mo>+</mo></msubsup><mo>]</mo></mrow><mn>0</mn></msup></math> in chalcopyrite <math xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><msub><mi>CuInTe</mi><mn>2</mn></msub></math>.\",\"PeriodicalId\":20545,\"journal\":{\"name\":\"Physical Review Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-08-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Physical Review Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1103/physrevmaterials.8.083801\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Review Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1103/physrevmaterials.8.083801","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Augmented chalcopyrites: A search for new Cu-In-Te phases
Chalcopyrites are ternary crystalline compounds which have found use in a diverse array of applications, from solar cells to thermoelectric devices. These are known to be ternary-compound analogs to diamond or sphalerite. “Defect chalcopyrites,” which are chalcopyrite structures stabilized with ordered vacancies and substitutions, are well attested and can serve as a method of tuning material properties through control of stoichiometry. In particular, defect chalcopyrites related to the thermoelectric compound comprise a large range of compositions in the pseudobinary system , where . In contrast, the converse case of “augmented chalcopyrites,” namely, , is much less known or studied. We report the discovery of a range of -rich compositions in this binary system where stable phases can potentially be found. Here, the stoichometry of augmented chalcopyrites is likely to be modulated by the concentration of defect clusters in chalcopyrite .
期刊介绍:
Physical Review Materials is a new broad-scope international journal for the multidisciplinary community engaged in research on materials. It is intended to fill a gap in the family of existing Physical Review journals that publish materials research. This field has grown rapidly in recent years and is increasingly being carried out in a way that transcends conventional subject boundaries. The journal was created to provide a common publication and reference source to the expanding community of physicists, materials scientists, chemists, engineers, and researchers in related disciplines that carry out high-quality original research in materials. It will share the same commitment to the high quality expected of all APS publications.