Isotropic negative thermal expansion and its mechanism in tetracyanidoborate salt CuB(CN)_(4)

作     者：Chunyan Wang Qilong Gao Andrea Sanson and Yu Jia 王春艳;高其龙;Andrea Sanson;贾瑜

作者机构：Key Laboratory of Materials Physics of Ministry of EducationInternational Laboratory for Quantum Functional Materials of Henanand School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052China Key Laboratory of Special Functional Materials of Ministry of Educationand School of Materials Science and EngineeringHenan UniversityKaifeng 475004China Key Laboratory for Quantum Materials and Center for Topological Functional MaterialsHenan UniversityKaifeng 475004China Department of Physics and AstronomyUniversity of PadovaPadova I-35131Italy 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2022年第31卷第6期

页      面：99-103页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China (Grant Nos. 22071221, 21905252, and 11774078) Natural Science Foundation of Henan Province, China (Grant No. 212300410086) Innovation Scientists and Technicians Troop Construction Projects of Henan Province, China (No. 10094100510025) supported by National Supercomputing Center in Zhengzhou 

主　　题：negative thermal expansion Prussian blue analogues crystal structure phonons 

摘      要：The control of thermal expansion is essential in applications where thermal stability is required from fiber optics coatings,high performance fuel cell cathodes to tooth *** thermal expansion(NTE)materials,although rare,are fundamental for this *** work focuses on studying tetracyanidoborate salt CuB(CN)_(4),an interesting cubicstructure material that displays large isotropic NTE.A joint study of synchrotron x-ray diffraction,temperature-dependent Raman spectroscopy,and lattice dynamics calculations was conducted,showing that not only low-frequency optical modes(transverse thermal vibrations of N and C atoms)but also the acoustic modes(the vibrations of Cu atoms as a collective torsion of the neighboring atoms),contribute to *** a result,new insights were gained into the NTE mechanism of CuB(CN)_(4) and related framework materials.