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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tereshchenko O. E., Paulish A. G., Neklyudova M. A., Shamirzaev T. S., Yaroshevich A. S., Prosvirin I. P., Zhaksylykova I. E., Dmitriev D. V., Toropov A. I., Varnakov S. N., Rautskii M. V., Volkov N. V., Ovchinnikov S. G., Latyshev A. V.
Заглавие : Forming interface in Pd/Fe/GaAs/InGaAs structure for optical detector of free-electron spin
Место публикации : Tech. Phys. Lett.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 38, Is. 1. - P.12-16. - ISSN 1063-7850, DOI 10.1134/S1063785012010154
Примечания : Cited References: 13. - This study was supported in part by the Russian Academy of Sciences (Program "Spintronics"), Russian Foundation for Basic Research (project no. 10-02-91067-NTsNI), and Siberian Branch of the Russian Academy of Sciences (Interdisciplinary Integration Project).
Предметные рубрики: Pd
Аннотация: Conditions necessary for the formation of a Fe/GaAs interface have been established and the electrical, magnetic, and optical properties of Pd/Fe/GaAs heterostructures with InGaAs quantum wells have been studied. The possibility of obtaining an epitaxial layer of Fe on GaAs(001) surface at room temperature is demonstrated. The magnetization curve of Fe layer exhibits hysteresis with an easy axis in plane of the sample. Iron exhibits surface segregation by diffusion through a 4-nm-thick Pd layer. The properties of obtained Pd/Fe/GaAs/InGaAs structures show evidence for their possible use in optical detectors of free-electron spin.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuklin A. V., Kuzubov A. A., Krasnov P. O., Lykhin A. O., Tikhonova L. V.
Заглавие : Ni-doping effect of Mg(0 0 0 1) surface to use it as a hydrogen storage material
Место публикации : J. Alloys Compd.: Elsevier Science, 2014. - Vol. 609. - P.93-99. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2014.04.160. - ISSN 1873-4669
Примечания : Cited References: 38
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
AUGMENTED-WAVE METHOD
MINIMUM ENERGY PATHS
ELASTIC BAND METHOD
METAL-HYDRIDES
SADDLE-POINTS
MAGNESIUM
Mg
TRANSITION
Pd
Ключевые слова (''Своб.индексиров.''): hydrogen absorbing materials--intermetallics--diffusion--dft--mg-based hydride
Аннотация: A detailed study of Ni-doped Mg(0 0 0 1) surface performed by PAW method and the gradient corrected density functional GGA-PBE within the framework of generalized Kohn–Sham density functional theory (DFT) is presented in this work. Structural and electronic properties of magnesium surface interaction with nickel for the purpose of such compounds use for creation of hydrogen storage matrixes were investigated here. Choice of the PBE functional was caused by the good accordance of its prediction of the cell parameters with experimental results. It was shown that Ni atoms prefer to substitute for Mg atoms. Using NEB method, the diffusion barrier was calculated, and the most probable reaction path was established. In particular, when the Ni atom dopes the magnesium surface, it can migrate to the bulk and substitute for Mg in subsurface layers. Also a possibility of nickel cluster formation on clean surface of magnesium was examined. The kinetic factors hinder the movement of the nickel atoms to each other and make problematic the formation of clusters. The studies presented here showed that the diffusion barriers of the nickel atom migration from the cluster on the surface to the bulk of magnesium are 1.179 eV and 1.211 eV for the forward and reverse reactions, respectively. Therefore an improvement of the hydrogenation properties of Ni-doped magnesium surface depends on deposition not of the individual atoms, but their clusters. Hydrogenation of Ni cluster doping the magnesium surface was investigated. Initially Kubas complexes arise on the Ni cluster with hydrogen–hydrogen bond lengths equal to 0.80–0.87 Å. Next the cluster needs to be saturated by hydrogen atoms to allow them later to migrate from cluster to magnesium.
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