Peixian Zhang, Yongqiang Qiao, Kaiyue Zhao, Qingjie Wang, Huan Zhao, Juan Guo, Erjun Liang, Tao Sun, Jiangwei Zhang, Qilong Gao
{"title":"Synthesis, structure, and thermal expansion in CaZrF6 with two polymorphs","authors":"Peixian Zhang, Yongqiang Qiao, Kaiyue Zhao, Qingjie Wang, Huan Zhao, Juan Guo, Erjun Liang, Tao Sun, Jiangwei Zhang, Qilong Gao","doi":"10.1007/s12274-024-6832-x","DOIUrl":null,"url":null,"abstract":"<p>Due to the high structural flexibility and controllable thermal expansion, cubic double ReO<sub>3</sub>-type negative thermal expansion (NTE) fluorides provide a solution for solving the prominent phenomenon of thermal expansion mismatch between materials. However, the expensive raw materials and complex synthesis steps limit its practical application. In this work, we have designed a more advantageous method for the synthesis of NTE material CaZrF<sub>6</sub>, and it is expected to be generalized to the synthesis of other double ReO<sub>3</sub>-fluorides. Intriguingly, a new orthorhombic phase CaZrF<sub>6</sub> has been synthesized via this method in a lower temperature. Unlike the strong isotropic NTE of the cubic phase CaZrF<sub>6</sub>, the orthorhombic phase shows the strong anisotropic positive thermal expansion (PTE). The combined analysis of temperature-dependent X-ray diffraction (XRD), Raman spectra, and first-principles calculations shows that the low frequency phonon vibration mode with negative Grüneisen parameter in cubic CaZrF<sub>6</sub> are strongly correlated with the transverse thermal vibration of F atoms and dominates the NTE of the material.</p>","PeriodicalId":713,"journal":{"name":"Nano Research","volume":null,"pages":null},"PeriodicalIF":9.5000,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nano Research","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1007/s12274-024-6832-x","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Due to the high structural flexibility and controllable thermal expansion, cubic double ReO3-type negative thermal expansion (NTE) fluorides provide a solution for solving the prominent phenomenon of thermal expansion mismatch between materials. However, the expensive raw materials and complex synthesis steps limit its practical application. In this work, we have designed a more advantageous method for the synthesis of NTE material CaZrF6, and it is expected to be generalized to the synthesis of other double ReO3-fluorides. Intriguingly, a new orthorhombic phase CaZrF6 has been synthesized via this method in a lower temperature. Unlike the strong isotropic NTE of the cubic phase CaZrF6, the orthorhombic phase shows the strong anisotropic positive thermal expansion (PTE). The combined analysis of temperature-dependent X-ray diffraction (XRD), Raman spectra, and first-principles calculations shows that the low frequency phonon vibration mode with negative Grüneisen parameter in cubic CaZrF6 are strongly correlated with the transverse thermal vibration of F atoms and dominates the NTE of the material.
期刊介绍:
Nano Research is a peer-reviewed, international and interdisciplinary research journal that focuses on all aspects of nanoscience and nanotechnology. It solicits submissions in various topical areas, from basic aspects of nanoscale materials to practical applications. The journal publishes articles on synthesis, characterization, and manipulation of nanomaterials; nanoscale physics, electrical transport, and quantum physics; scanning probe microscopy and spectroscopy; nanofluidics; nanosensors; nanoelectronics and molecular electronics; nano-optics, nano-optoelectronics, and nano-photonics; nanomagnetics; nanobiotechnology and nanomedicine; and nanoscale modeling and simulations. Nano Research offers readers a combination of authoritative and comprehensive Reviews, original cutting-edge research in Communication and Full Paper formats. The journal also prioritizes rapid review to ensure prompt publication.