Formation of the polycrystalline FeSi phase with the CsCl structure in codeposited thin Fe x Si1 − x films (x = 0.5–0.6)

Zenkevich, A.; Lauer, D. E.; Filippov, V. P.

doi:10.3103/s1062873807090183

Cited by 1 publication

(1 citation statement)

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“…Further examples include a phase transition of iron induced by shear stress in a rotational diamond anvil cell, which was not observed under hydrostatic conditions . The shear-stress promoted B20–B2 phase transition of FeSi observed in our experiments offers an important case study, and it is consistent with the observation of the strain effects that have been shown to stabilize the B2 phase in FeSi thin films . To better understand this phenomenon and explore the underlying mechanism, we performed computational studies of the effect of shear stress, as discussed below.…”

Section: Resultssupporting

confidence: 82%

Effect of Pressure on Crystal Structure and Phonon Density of States of FeSi

Kumar,

Liu,

et al. 2024

J. Phys. Chem. C

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The strongly correlated material FeSi displays several unusual thermal, magnetic, and structural properties under varying pressure–temperature (P–T) conditions. It is a potential thermoelectric alloy and a material with several geochemical implications as a possible constituent at the Earth’s core-mantle boundary (CMB). Previous theoretical studies predicted a pressure-induced B20–B2 transition at ambient temperature below 40 GPa; however, experimentally, the structural transition is observed only under high P–T conditions. In this study, we have performed high-pressure powder X-ray diffraction (XRD) up to 90 GPa and Nuclear Resonant Inelastic X-ray Scattering (NRIXS) measurements up to 120 GPa to understand the phase stability and lattice dynamics. Our study provides evidence for a nonhydrostatic stress-induced B20–B2 transition in FeSi at around 36 GPa. We deduced the Fe partial phonon density of states (PDOS) and thermal parameters from NRIXS measurements up to 120 GPa and compared them with density functional theory (DFT) calculations. Additionally, the computations show pressure-induced metallization and band gap closing at around 12 GPa.

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Section: Resultssupporting

confidence: 82%