Surface structures of L1₀-MnGa (001) by scanning tunneling microscopy and first-principles theory

Journal Article · Wed Nov 01 00:00:00 EDT 2017 · Applied Surface Science

DOI:https://doi.org/10.1016/j.apsusc.2017.06.030· OSTI ID:1538013

Corbett, J. P. ^[1]; Guerrero-Sanchez, J. ^[2]; Richard, A. L. ; Ingram, D. C. ; Takeuchi, N. ^[2]; Smith, A. R.  ^[1]

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1. Nanoscale and Quantum Phenomena Institute, Department of Physics and Astronomy, Ohio University, Athens, OH 45701, USA
2. Centro de Nanociencias y Nanotecnologia, Universidad Nacional Aut´ onoma de M´ exico, Apartado Postal 14, Ensenada Baja California, C´ odigo Postal 22800, Mexico.

We report on the surface reconstructions of L10-ordered MnGa (001) thin films grown by molecular beam epitaxy on a 50 nm Mn₃N₂ (001) layer freshly grown on a magnesium oxide (001) substrate. Scanning tunneling microscopy, Auger electron spectroscopy, and reflection high energy electron diffraction, are combined with first-principles density functional theory calculations to determine the reconstructions of the L1₀-ordered MnGa (001) surface. We find two lowest energy reconstructions of the MnGa(001) face: a 1×1 Ga-terminated structure and a 1×2 structure with a Mn replacing a Ga in the 1×1 Ga-terminated surface. The 1×2 reconstruction forms a row structure along [100]. The manganese:gallium stoichiometry within the surface based on the oretical modeling is in good agreement with experiment. Magnetic moment calculations for the two lowest energy structures reveal important surface and bulk effects leading to oscillatory total magnetization for ultra-thin MnGa(001) films.

• Research Organization: Ohio Univ., Athens, OH (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: FG02-06ER46317
• OSTI ID: 1538013
• Alternate ID(s): OSTI ID: 1495643
• Journal Information: Applied Surface Science, Vol. 422, Issue C; ISSN 0169-4332
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

Chemistry
Materials Science
Physics
manganese gallium
L10
scanning tunneling microscopy
molecular beam epitaxy
density functional theory