Surface structures of magnetostrictive D03-Fe3Ga(0 0 1)

Ruvalcaba, Ricardo; Corbett, Joseph P.; Mandru, Andrada-Oana; Takeuchi, Noboru; Smith, Arthur R.; Guerrero-Sanchez, Jonathan

doi:10.1016/j.apsusc.2021.149488

Title: Surface structures of magnetostrictive D0₃-Fe₃Ga(0 0 1)

Journal Article · Sat Mar 13 00:00:00 UTC 2021 · Applied Surface Science

DOI: https://doi.org/10.1016/j.apsusc.2021.149488 · OSTI ID:1849701

Ruvalcaba, Ricardo ^[1]; Corbett, Joseph P. ^[2]; Mandru, Andrada-Oana ^[3]; Takeuchi, Noboru ^[4]; Smith, Arthur R. ^[5]; Guerrero-Sanchez, Jonathan ^[4]

Universidad Nacional Autónoma de México, Ensenada, (Mexico). Centro de Nanociencias y Nanotecnología; The Ohio State Univ., Columbus, OH (United States)
The Ohio State Univ., Columbus, OH (United States). Dept. of Physics
Swiss Federal Laboratories for Materials Science and Technology (Empa), Dübendorf, (Switzerland). Empa
Universidad Nacional Autónoma de México, Ensenada, (Mexico). Centro de Nanociencias y Nanotecnología
Ohio Univ., Athens, OH (United States). Dept. of Physics and Astronomy. Nanoscale and Quantum Phenomena Inst.

First-principles total energy calculations and scanning tunneling microscopy experiments were performed to study the surface reconstruction of the magnetostrictive Fe₃Ga alloy. The inverse magnetostrictive behavior was evaluated in the bulk by compressing and stretching its lattice parameter, showing an increase in magnetic moments as strain increases. Surface analysis demonstrates two thermodynamically stable surfaces, the (1 × 1) and (3 × 1). The (1 × 1) is an ideal FeGa terminated surface, whereas the (3 × 1) is also FeGa terminated but it has a first-layer Fe atom substituted by a Ga atom every three unit-cells, forming a row-like surface structure. Tersoff–Hamann scanning tunneling microscopy simulations were obtained and compared with experimental results. We found good agreement between theory and experiment, in which the distance between rows is ~12.3 Å. Theoretical findings suggest that the substrate-induced strain may increase the stability of the (3 × 1) reconstruction. Analysis of the magnetic moments in the reconstructions showed that their behavior is affected by a surface effect, as well as by the inverse magnetostriction of the structure. A good understanding of the FeGa surface reconstructions is an important step towards further improvements in magnetic storage devices and sensors.

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Research Organization:: Ohio Univ., Athens, OH (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: FG02-06ER46317

OSTI ID:: 1849701

Journal Information:: Applied Surface Science, Journal Name: Applied Surface Science Journal Issue: C Vol. 553; ISSN 0169-4332

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Surface structures of magnetostrictive D0₃-Fe₃Ga(0 0 1)