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  • 2020-2024  (2)
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  • 1
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    Elasticity of Dense Metal–Organic Framework Compounds (2023)
    In:  Journal of Physical Chemistry C
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    Publication Date: 2023-08-17
    Description: We present for the first time the experimentally derived complete elastic stiffness tensors of orthorhombic metal guanidinium formates,([C(NH2)3]-[M2+(HCOO)3],MGFs),with M2+= Zn2+, Mn2+, and Cu2+ which are structurally related to (ABX3)-perovskites using ultrasound techniques, Brillouin spectroscopy, and thermal diffuse scattering. Density functional theory calculations were also performed to calculate the elastic tensor of orthorhombic MGFs and extended to the study of trigonal MGFs with M2+= Ca2+and Cd2+. All MGFs studied here are very compressible, with bulk moduli ranging from 20 to 30 GPa. The MGFs possess a significant anisotropy in their elastic properties, which is extremely large, especially in the case of CdGF and CaGF.
    Language: English
    Type: info:eu-repo/semantics/article
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  • 2
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    Reduced charge transfer in mixed-spin ferropericlase inferred from its high-pressure refractive index (2023)
    In:  American Mineralogist
    Details
    Publication Date: 2023-10-25
    Description: Physical properties of mantle minerals are essential for comprehensive geodynamic modelling. High-pressure experiments allow measurements of physical properties but fundamental insights into their evolution with pressure are often experimentally inaccessible. Here we report the first in situ experimental determination of the optical refractive index, its wavelength-dispersion, and optical absorption coefficient of ferropericlase up to ~140 GPa at room temperature. All these properties change gradually in dominantly high-spin (below ~50 GPa) and low-spin (above ~80 GPa) ferropericlase. However, in the mixed-spin state (i.e., significant presence of both high- and low-spin iron), the index dispersion and the absorption coefficient decrease by a factor of three and ~30 %, respectively. These anomalies suggest that charge transport by small polaron is reduced in mixed-spin ferropericlase, providing fundamental insights into the factor-of-three lower electrical conductivity of ferropericlase at ~50-70 GPa.
    Language: English
    Type: info:eu-repo/semantics/article
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