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Different response of the crystal structure to isoelectronic doping inBaFe2(As1−xPx)2and(Ba1−xSrx)Fe2As2 by Marianne Rotter; Christine Hieke; Dirk Johrendt is a Physics and Astronomy article available to read on EtoBox.

What is Different response of the crystal structure to isoelectronic doping inBaFe2(As1−xPx)2and(Ba1−xSrx)Fe2As2 about?

Superconductivity up to 30 K in charge neutrally doped BaFe 2 ͑As 1-x P x ͒ 2 has been ascribed to chemical pressure caused by the shrinking unit cell. But the latter induces no superconductivity in ͑Ba 1-x Sr x ͒Fe 2 As 2 in spite of the same volume range. We show that the spin-density-wave ͑SDW͒ state of BaFe 2 As 2 becomes suppressed in BaFe 2 ͑As 1-x P x ͒ 2 by a subtle reorganization of the crystal structure, where arsenic and phosphorus are located at different coordinates z As and z P . High-resolution x-ray diffraction experiments with BaFe 2 ͑As 1-x P x ͒ 2 single crystals reveal almost unchanged Fe-P bonds, but a contraction of the Fe-As bonds, which remain nearly unchanged in ͑Ba 1-x Sr x ͒Fe 2 As 2 . Since the Fe-As bond length is a gauge for the magnetic moment, our results show why the SDW is suppressed by P doping, but not by Sr doping. Only the Fe-P interaction increases the width of the iron 3d bands, which destabilizes the magnetic SDW ground state. The simultaneous contraction of the Fe-As bonds is rather a consequence of the vanishing magnetism. Ordered structure models of BaFe 2 ͑As 1-x P x ͒ 2 obtained by density-functional theory calculations agree perfectly

Who reads Different response of the crystal structure to isoelectronic doping inBaFe2(As1−xPx)2and(Ba1−xSrx)Fe2As2?

Author

Marianne Rotter; Christine Hieke; Dirk Johrendt

Publisher

American Physical Society (APS)

Published

2010

Language

EN

Field

Physics and Astronomy (Physical Sciences)