Journal Article

PUBDB-2026-00967

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Probing nonlinear structure-orbital correlation for PrOFe$_{0.9}$Co$_{0.1}$ as under pressure

Lahiri, D. (Corresponding author)Extern* ; Pandey, K. K.Extern* ; Modak, P. ; Ramanan, N.Extern* ; Czyzycki, M.Extern* ; Falkenberg, G.DESY* ; Prakash, J. ; Thakur, G. S. ; Ganguli, A. K.Extern*XFEL.EU* ; Garg, N.Extern*

2026
World Scientific Publ. Singapore [u.a.]

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Please use a persistent id in citations: doi:10.1142/S0217979226500724  doi:10.3204/PUBDB-2026-00967

Abstract: Fe-based pnictides have evolved as a practical alternative to Cuprate superconductors. Electrons are transported along As–Fe–As path of inter-connected FeAs4, utilizing Fe 3d-As 4p orbital hybridization. This leads to an obvious question — what are the key tetrahedral parameters that control hybridization? Unfortunately, empirical results from discrete experiments generated conflicting structure-transport correlations. The present work attempts to fill this logistic gap by probing the missing structure-orbital correlation link. To this effect, pressure-dependent XRD and As K-edge XANES were measured on the same sample set of PrOFe0.9Co0.1As. A point of inflection emerges at the compressibility limit of Fe–As bond-length. At this point, the trajectory of As atom and (correspondingly) parameters of FeAs4 undergo parabolic reversal whilepd hybridization undergoes nonreversible maximization. This incongruence generates nonlinear structure-orbital correlation, which is a novel finding. Two novel concepts emanate from this exercise — (a) compressibility limit of Fe–As bond-length emerges as the new critical reference and (b) nonlinearity warrants that pd hybridization is sensitive to the phase of As trajectory (relative to this reference) rather than the absolute values of tetrahedral parameters. These mark major corrections from previous works, which should settle the existing conflicts.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. PETRA-S (FS-PETRA-S)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. INDIA-DESY - INDIA-DESY Collaboration (2020_Join2-INDIA-DESY) (2020_Join2-INDIA-DESY)

Experiment(s):

1. PETRA Beamline P06 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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