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• W3104909084 abstract "Using an {it ab initio} approach, we report a phonon soft mode in the tetragonal structure described by the space group $I4_{1}22$ of the $1$ K $5d$ superconductor Cd$_2$Re$_2$O$_7$. It induces an orthorhombic distortion to a crystal structure described by the space group $F222$ which hosts the superconducting state. This new phase has a lower total energy than the other known crystal structures of Cd$_2$Re$_2$O$_7$. Comprehensive temperature dependent Raman scattering experiments on isotope enriched samples, $^{116}$Cd$_2$Re$_2{^{18}}$O$_7$, not only confirm the already known structural phase transitions but also allow us to identify a new characteristic temperature regime around $sim 80$ K, below which the Raman spectra undergo remarkable changes with the development of several sharp modes and mode splitting. Together with the results of the textit{ab initio} phonon calculations we take these observations as strong evidence for another phase transition to a novel low-temperature crystal structure of Cd$_2$Re$_2$O$_7$." @default.
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• W3104909084 date "2020-07-21" @default.
• W3104909084 modified "2023-10-16" @default.
• W3104909084 title "Discovery of a low-temperature orthorhombic phase of the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>Cd</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Re</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>7</mml:mn></mml:msub></mml:mrow></mml:math> superconductor" @default.
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• W3104909084 doi "https://doi.org/10.1103/physrevresearch.2.033108" @default.
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