Valence band satellite, and temperature-dependent magnetic and spectral study of
Phys. Rev. B 113, 245137 – Published 17 June, 2026
DOI: https://doi.org/10.1103/x9fv-wgzq
Abstract
We investigate the influence of correlations and plasmonic excitation on the valence band satellite of -Fe, along with magnetic and spectral properties as a function of temperature. Coulomb interaction parameters are obtained by systematically employing various schemes within the constrained random-phase approximation (cRPA). This study identifies the presence of valence band satellite in Fe at binding energy supported by (i) substantial incoherent spectral weight in the valence band spectra obtained from Density Functional Theory plus Dynamical Mean Field Theory and (ii) plasmonic excitations in the frequency range suggested by calculations. We note a significant contribution from the temperature-dependent Pauli spin susceptibility, indicating a competing degree of itinerancy. state shows a strong temperature-driven non-Fermi-liquid behavior emerging near . Our results reveal that a high-temperature orbital-selective loss of coherence eventually leads to an orbital-selective collapse of magnetization at , suggesting a ferromagnetic phase characterized by strong correlation- and temperature- dependent spectral features.