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Reversal of uniaxial magnetic anisotropy in Fe/GaAs (110) films driven by surface relaxation: An in situ ferromagnetic resonance study / B. Bhagat, A. Semisalova, R. Meckenstock, M. Farle // AIP Adv. - 2020. - Vol. 10, Is. 7. - Ст. 075219, DOI 10.1063/5.0004261. - Cited References: 32. - This work was supported by Deutsche Forschungsgemeinschaft (DFG, German Research Foundation): Project Nos. RO 5030/2-1 and 405553726-TRR 270, and by the Government of the Russian Federation (Research Grant No. 075-15-2019-1886). The authors acknowledge Florian Romer for initial funding and training and are thankful to Benjamin Zingsem for helping in data fitting and to Ulf Wiedwald for AFM measurements. . - ISSN 2158-3226

РУБ Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
EPITAXIAL FE FILMS
   GAAS(001)
   GAAS
   RECONSTRUCTION
   LAYERS
Аннотация: We report an in situ study of the time evolution of magnetic anisotropy constants of an uncapped 4 nm [~ 27 monolayers (ML)] Fe film epitaxially grown on a GaAs (110) substrate at room temperature under ultra-high vacuum (UHV) conditions. The structural and chemical properties are monitored by low energy electron diffraction and Auger spectroscopy with a sensitivity of 0.01 ML. The in situ UHV ferromagnetic resonance (FMR) study over a period of 6 days in 10-9 Pa reveals that there is a slow magneto-morphological transition of the Fe film surface at room temperature. The resonance field measured in situ in the [110] direction initially changes at a rate of 0.3 mT/h within 30 h after deposition and later at 0.1 mT/h over 80 h. We determine the time-dependent changes in the in-plane and out-of-plane anisotropy constants and find a sign change in the uniaxial in-plane anisotropy in the first 24 h due to morphological changes at the surface. The in situ FMR measurements and the Auger analysis allow us to exclude changes in the magnetization and anisotropy due to the contamination and oxidation of the Fe film.

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Держатели документа:
Univ Duisburg Esssen, Ctr Nanointegrat, D-47057 Duisburg, Germany.
Univ Duisburg Esssen, Fac Phys, D-47057 Duisburg, Germany.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Bhagat, Babli; Semisalova, Anna; Meckenstock, Ralf; Farle, M.; Фарле, Михаель; Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)German Research Foundation (DFG) [RO 5030/2-1, 405553726-TRR 270]; Government of the Russian Federation [075-15-2019-1886]
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    Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method / D. G. Fedorov [et al.] // Chem. Phys. Lett. - 2009. - Vol. 477, Is. 1-3. - P. 169-175, DOI 10.1016/j.cplett.2009.06.072. - Cited Reference Count: 49. - Гранты: We thank Professor M. Suenaga of Kyushu University for continuing his development of the modeling software FACIO and its FMO interface. D. G. F. and K. K. were supported by the a Grant-in- Aid for Scientific Research (JSPS, Japan) and the Next Generation SuperComputing Project, Nanoscience Program (MEXT, Japan). J.H.J. was supported by a Skou Fellowship from the Danish Research Agency (Forskningsradet for Natur og Univers). - Финансирующая организация: JSPS, Japan; Next Generation SuperComputing Project; MEXT, Japan; Danish Research Agency . - JUL 28. - ISSN 0009-2614
Рубрики:
DENSITY-FUNCTIONAL THEORY
   GEOMETRY OPTIMIZATIONS
   SEMICONDUCTOR NANOWIRES
   SILICON NANOWIRES
   METHOD FMO
   ENERGY
   SURFACES
   RECONSTRUCTION
   CHEMISTRY
   PROTEINS
Кл.слова (ненормированные):
Energy gradients -- Fragment molecular orbital methods -- Future applications -- Geometry optimization -- Numerical criteria -- Silicon Nanowires -- Molecular modeling -- Molecular orbitals
Аннотация: We have developed and implemented the analytic energy gradient for the bond detachment scheme in the fragment molecular orbital method (FMO) suitable to describe solids, and applied it to the geometry optimization of a silicon nanowire at several levels of theory. In addition, we have examined in detail the effects of the particular choice of the fragmentation upon the accuracy and introduced a number of numerical criteria to characterize the errors. The established route is expected to provide guidance for future applications of FMO to surfaces, solids and nanosystems. (C) 2009 Elsevier B. V. All rights reserved.

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Держатели документа:
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark
Kyoto Univ, Grad Sch Pharmaceut Sci, Sakyo Ku, Kyoto 6068501, Japan

Доп.точки доступа:
Fedorov, D.G.; Kitaura, K.; Avramov, P. V.; Аврамов, Павел Вениаминович; Jensen, J.H.
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