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@ARTICLE{Lahiri:646900,
author = {Lahiri, Debdutta and Pandey, K. K. and Modak, P. and
Ramanan, Nitya and Czyzycki, Mateusz and Falkenberg, Gerald
and Prakash, Jai and Thakur, Gohil S. and Ganguli, A. K. and
Garg, Nandini},
title = {{P}robing nonlinear structure-orbital correlation for
{P}r{OF}e$_{0.9}${C}o$_{0.1}$ as under pressure},
journal = {International journal of modern physics / B},
volume = {40},
number = {08},
issn = {0217-9792},
address = {Singapore [u.a.]},
publisher = {World Scientific Publ.},
reportid = {PUBDB-2026-00967},
pages = {2650072},
year = {2026},
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.},
cin = {DOOR ; HAS-User / FS-PETRA-S},
ddc = {530},
cid = {I:(DE-H253)HAS-User-20120731 /
I:(DE-H253)FS-PETRA-S-20210408},
pnm = {632 - Materials – Quantum, Complex and Functional
Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
INDIA-DESY - INDIA-DESY Collaboration
$(2020_Join2-INDIA-DESY)$},
pid = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
$G:(DE-HGF)2020_Join2-INDIA-DESY$},
experiment = {EXP:(DE-H253)P-P06-20150101},
typ = {PUB:(DE-HGF)16},
doi = {10.1142/S0217979226500724},
url = {https://bib-pubdb1.desy.de/record/646900},
}