Understanding the Reactions Between Fe and Se Binary Diffusion Couples

Bardgett, Dylan; Gannon, Renae N.; Hamann, Danielle M.; Roberts, Dennice M.; Bauers, Sage R.; Lu, Ping; Johnson, David C.

doi:10.1021/acs.chemmater.1c00303

Understanding the Reactions Between Fe and Se Binary Diffusion Couples

Journal Article · Tue Mar 30 00:00:00 EDT 2021 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c00303· OSTI ID:1774644

Bardgett, Dylan ^[1]; ^[2]; ^[3]; ^[4]; ^[4]; Lu, Ping ^[5]; ^[2]

Univ. of Oregon, Eugene, OR (United States); Northwestern Univ., Evanston, IL (United States); University of Oregon
Univ. of Oregon, Eugene, OR (United States)
Univ. of Oregon, Eugene, OR (United States); ON Semiconductor, South Portland, ME (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Spurred by recent discoveries of high-temperature superconductivity in Fe-Se based materials, the magnetic, electronic, and catalytic properties of iron-chalcogenides have drawn significant attention. Furthermore, much remains to be understood about the sequence of phase formation in these systems. In this work, we shed light on this issue by preparing a series of binary Fe-Se ultrathin diffusion couples via designed thin film precursors and investigating their structural evolution as a function of composition and annealing temperature. Two previously unreported Fe-Se phases crystallized during the deposition process on a nominally room-temperature Si substrate in the 27-33% and 37-47% Fe (atomic percent) composition regimes. Both phases completely decompose after annealing to 200°C in a nitrogen glovebox. At higher temperatures, the sequence of phase formation is governed by Se loss in the annealing process, consistent with what would be expected from the phase diagram. Films rich in Fe (53-59% Fe) crystalized during deposition as β-FeSe (P4/nmm) with preferred c-axis orientation to the amorphous SiO₂ substrate surface, providing a means to non-epitaxial self-assembly of crystallographically aligned, iron-rich β-FeSe for future research. Our findings suggest the crystallization of binary Fe-Se compounds at room temperature via near diffusionless transformations should be a significant consideration in future attempts to prepare metastable ternary and higher order compounds containing Fe and Se.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Oregon, Eugene, OR (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)National Renewable Energy Laboratory (NREL), Golden, CO (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States). Center for Integrated Nanotechnologies (CINT); Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States). Center for Integrated Nanotechnologies (CINT)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: SC0020095; AC52-06NA25396; NA0003525; AC36-08GO28308; AC04-94AL85000

OSTI ID:: 1774644

Alternate ID(s):: OSTI ID: 1810356
OSTI ID: 1864749
OSTI ID: 1784894

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 7 Vol. 33; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
diffusion couples
iron selenide
solid state chemistry

Understanding the Reactions Between Fe and Se Binary Diffusion Couples

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