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- W4289261401 abstract "Two-dimensional iron-chalcogenide intercalates display a remarkable correlation of the interlayer spacing with the enhancement of the superconducting critical temperature ($T_c$). In this work, synchrotron x-ray absorption ($XAS$, at Fe and Se K edges) and emission ($XES$) spectroscopies, allow to discuss how the important rise of $T_c$ (44 K) in the molecule intercalated $rm Li_x(C_5H_5N)_yFe_{2-z}Se_2$ relates to the electronic and local structure changes felt by the inorganic host upon doping ($x$). $XES$ shows that widely-separated layers of edge-sharing $rm FeSe_4$ tetrahedra, carry low-spin moieties with a local Fe magnetic moment slightly reduced compared to the parent $beta$-$rm Fe_{2-z}Se_2$. Pre-edge $XAS$ advises on the progressively reduced mixing of metal $3d-4p$ states upon lithiation. Doping-mediated local lattice modifications, probed by conventional $T_c$-optimization measures (cf. anion height and $FeSe_4$ tetrahedra regularity), become less relevant when layers are spaced far away. On the basis of extended x-ray absorption fine structure, such distortions are compensated by a softer Fe-network that relates to Fe-site vacancies, alleviating electron-lattice correlations and superconductivity. Density functional theory ($DFT$) guided modification of isolated $rm Fe_{2-z}Se_2$ ($z$, vacant sites) planes, resembling the host layers, identify that Fe-site deficiency occurs at low energy cost, giving rise to stretched Fe-sheets, in accord with experiments. The robust high-$T_c$ in $rm Li_x(C_5H_5N)_yFe_{2-z}Se_2$, arises from the interplay of electron donating spacers and the iron-selenide layers tolerance to defect chemistry, a tool to favorably tune its Fermi surface properties." @default.
- W4289261401 created "2022-08-01" @default.
- W4289261401 creator A5007511268 @default.
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- W4289261401 date "2022-08-01" @default.
- W4289261401 modified "2023-10-03" @default.
- W4289261401 title "Li<sub><i>x</i></sub>(C<sub>5</sub>H<sub>5</sub>N)<sub><i>y</i></sub>Fe<sub>2–<i>z</i></sub>Se<sub>2</sub>: A Defect-Resilient Expanded-Lattice High-Temperature Superconductor" @default.
- W4289261401 cites W1499098060 @default.
- W4289261401 cites W1518327392 @default.
- W4289261401 cites W1548681251 @default.
- W4289261401 cites W1575899347 @default.
- W4289261401 cites W1600011230 @default.
- W4289261401 cites W1605152380 @default.
- W4289261401 cites W1630874652 @default.
- W4289261401 cites W1659501886 @default.
- W4289261401 cites W1940299161 @default.
- W4289261401 cites W1964372055 @default.
- W4289261401 cites W1968083756 @default.
- W4289261401 cites W1971212666 @default.
- W4289261401 cites W1972000051 @default.
- W4289261401 cites W1976677801 @default.
- W4289261401 cites W1979544533 @default.
- W4289261401 cites W1981782659 @default.
- W4289261401 cites W1982996670 @default.
- W4289261401 cites W1988460510 @default.
- W4289261401 cites W1995037980 @default.
- W4289261401 cites W2007395042 @default.
- W4289261401 cites W2010127434 @default.
- W4289261401 cites W2011721578 @default.
- W4289261401 cites W2013023031 @default.
- W4289261401 cites W2022635940 @default.
- W4289261401 cites W2023166097 @default.
- W4289261401 cites W2023390323 @default.
- W4289261401 cites W2027526059 @default.
- W4289261401 cites W2027862358 @default.
- W4289261401 cites W2029365425 @default.
- W4289261401 cites W2033984983 @default.
- W4289261401 cites W2035100229 @default.
- W4289261401 cites W2035985682 @default.
- W4289261401 cites W2036802942 @default.
- W4289261401 cites W2040187759 @default.
- W4289261401 cites W2049956839 @default.
- W4289261401 cites W2060549405 @default.
- W4289261401 cites W2061754927 @default.
- W4289261401 cites W2065187155 @default.
- W4289261401 cites W2070227796 @default.
- W4289261401 cites W2072198275 @default.
- W4289261401 cites W2077867145 @default.
- W4289261401 cites W2078171437 @default.
- W4289261401 cites W2079211121 @default.
- W4289261401 cites W2080400091 @default.
- W4289261401 cites W2080492900 @default.
- W4289261401 cites W2083222334 @default.
- W4289261401 cites W2095532531 @default.
- W4289261401 cites W2109371139 @default.
- W4289261401 cites W2122321283 @default.
- W4289261401 cites W2128215880 @default.
- W4289261401 cites W2142617637 @default.
- W4289261401 cites W2146154120 @default.
- W4289261401 cites W2160174308 @default.
- W4289261401 cites W2168322946 @default.
- W4289261401 cites W2179451613 @default.
- W4289261401 cites W2335641012 @default.
- W4289261401 cites W2408957932 @default.
- W4289261401 cites W2515085440 @default.
- W4289261401 cites W2529471926 @default.
- W4289261401 cites W2625223546 @default.
- W4289261401 cites W2766978321 @default.
- W4289261401 cites W2799915232 @default.
- W4289261401 cites W2943973006 @default.
- W4289261401 cites W2949088063 @default.
- W4289261401 cites W2953349182 @default.
- W4289261401 cites W3038709935 @default.
- W4289261401 cites W3080118858 @default.
- W4289261401 cites W3098958972 @default.
- W4289261401 cites W3098979843 @default.
- W4289261401 cites W3099343427 @default.
- W4289261401 cites W3099696119 @default.
- W4289261401 cites W3101037318 @default.
- W4289261401 cites W3103748958 @default.
- W4289261401 cites W3175136883 @default.
- W4289261401 cites W4214666948 @default.
- W4289261401 cites W73973503 @default.
- W4289261401 doi "https://doi.org/10.1021/acs.inorgchem.2c01906" @default.
- W4289261401 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35913893" @default.
- W4289261401 hasPublicationYear "2022" @default.
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