5 years ago

Isotropic Zero Thermal Expansion and Local Vibrational Dynamics in (Sc,Fe)F3

Isotropic Zero Thermal Expansion and Local Vibrational Dynamics in (Sc,Fe)F3
Jinxia Deng, G. Jeffrey Snyder, Xianran Xing, Feiyu Qin, Jun Chen, Jiale Xu, Ranbo Yu, Zhao Pan, Lu Wang, Lei Hu, Umut Aydemir, Chengjun Sun, Andrea Sanson, Yang Ren
Scandium fluoride (ScF3) exhibits a strong negative thermal expansion (NTE). With increasing temperature, strong coupled vibrations occur in fluorine-linked ScF6 octahedra, which brings them closer together and results in an overall NTE in ScF3. NTE is suppressed greatly to an isotropic zero thermal expansion (ZTE) by partially substituting Sc with Fe in (Sc0.8Fe0.2)F3 (Fe20), as indicated by the temperature dependence of the (100) peak position of ScF3 and Fe20 in the contour plot. This ZTE comes from a delicate balance between the repressed chemical bond PTE and also weakened NTE components.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01234

DOI: 10.1021/acs.inorgchem.7b01234

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