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• W2020055296 abstract "In a joint experimental and theoretical study, we investigate the isostructural collapse from the ambient pressure tetragonal phase to a collapsed tetragonal phase for non-superconducting metallic SrFe2As2 and SrFe_1.8Ru_0.2As_2. The crystallographic details have been studied using X-ray powder diffraction up to 20 GPa pressure in a diamond anvil cell. The structural phase transition occurs at 10 GPa and 9 GPa for SrFe2As2 and SrFe_1.8Ru_0.2As_2, respectively. The changes in the unit cell dimensions are highly anisotropic with a continuous decrease of the c lattice parameter with pressure, while the a-axis length increases until the transition to a collapsed tetragonal phase and then continues to decrease. Across the phase transition, we observe a volume reduction of 5% and 4% for SrFe2As2 and SrFe_1.8Ru_0.2As_2, respectively. We are able to discern that Ru substitution on the Fe-site acts like `chemical pressure' to the system. Density-functional theory-based calculations of the electronic structure and electron localizability indicator are consistent with the experimental observations. Detailed analysis of the electronic structure in k-space and real space reveals As 4pz interlayer bond formation as the driving force of the c/a collapse with a change in the As-As bond length of about 0.35ang." @default.
• W2020055296 created "2016-06-24" @default.
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• W2020055296 date "2011-08-05" @default.
• W2020055296 modified "2023-09-25" @default.
• W2020055296 title "Symmetry-preserving lattice collapse in tetragonal SrFe<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:math>Ru<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mi>x</mml:mi></mml:msub></mml:math>As<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:…" @default.
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• W2020055296 doi "https://doi.org/10.1103/physrevb.84.054509" @default.
• W2020055296 hasPublicationYear "2011" @default.
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