Effect of implanted argon on hardness of novel magnetron sputtered Si–B–C–N materials: experiments and<i>ab initio</i>simulations

Houška, Jiří; Kalaš, J.; Vlček, Jaroslav; Bilek, M.M.M.; McKenzie, David R.

doi:10.1088/0953-8984/19/19/196228

Cited by 16 publications

(2 citation statements)

References 27 publications

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“…Amorphous alloys are attracting increasing interest due to their magnetic [1][2][3][4][5], mechanical [6,7] and corrosion resistive [6,8] properties. A number of studies have highlighted their potential application as protective coatings as well as in layered structures of technological importance such as magnetic tunnel junctions [2,3].…”

Section: Introductionmentioning

confidence: 99%

Atomic and electronic structure of amorphous Al–Zr alloy films

Vegelius¹,

Soroka²,

Korelis³

et al. 2011

J. Phys.: Condens. Matter

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Amorphous Al(73)Zr(27) alloy film, grown and then subjected to heat treatments at 400 and 700 °C, was studied using a combination of x-ray diffraction and soft x-ray spectroscopic techniques. The Al L(2,3) and Al K x-ray absorption spectroscopy (XAS) and Al L(2,3) x-ray emission spectroscopy (XES) used allowed probing the unoccupied and occupied Al 3s, d states and unoccupied Al 3p states in the sample studied. An irreversible transition from amorphous alloy to a mixture of polycrystalline alloy and amorphous alloy, and then to an amorphous oxide phase was observed. After the annealing at 400 °C the Al L(2,3) spectra obtained by XAS could be explained as sums of spectra from amorphous Al(73)Zr(27) alloy and (poly)crystalline Al. This indicates that the sample consists of a mixture of Al-rich crystalline and Zr-enhanced amorphous alloys, as compared to the stoichiometry of the as-deposited Al(73)Zr(27) sample, and that the electronic wavefunctions in the crystalline and amorphous regions can be considered to be confined within the respective regions. The relative amounts of Al atoms were found to be around 1:3 in the crystalline and amorphous phases, respectively, as deduced from the analysis of changes in the electronic structure using Al L(2,3) XAS data. The interpretation was confirmed by the Al K XAS and Al L(2,3) XES. Upon further annealing at 700 °C the polycrystalline phase transformed into amorphous oxide, while the amorphous alloy phase underwent gradual oxidation. The important finding was that the greater part of the sample remained in the amorphous state throughout the temperature regimes described.

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Section: Introductionmentioning

confidence: 99%

Atomic and electronic structure of amorphous Al–Zr alloy films

Vegelius¹,

Soroka²,

Korelis³

et al. 2011

J. Phys.: Condens. Matter

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“…32 and used for prediction of amorphous structures prepared by ion-assisted techniques, e.g., in Ref. 33. On the other hand, the thickness of the damage layer decreases with increasing crystal width.…”

Section: E Effect Of the Lateral Size Of The Growing Crystalmentioning

confidence: 99%

Experimental and molecular dynamics study of the growth of crystalline TiO2

Houška

Mráz

Schneider

2012

Journal of Applied Physics

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Enhancement of optical absorption by modulation of the oxygen flow of TiO2 films deposited by reactive sputteringThin films of crystalline TiO 2 are of high interest due to their photoactivity and photoinduced hydrophilicity. Previously, preparation of TiO 2 has been described in terms of extrinsic process parameters, such as total pressure, oxygen partial pressure, or substrate bias potential. We study the growth of TiO 2 phases, rutile and anatase, by atom-by-atom molecular dynamics simulations. We focus on the effect of intrinsic process parameters including particle energy, growth temperature, and growth template. While experiments indicate that the deposition of rutile requires higher temperatures and/or energies compared to anatase, we show that the growth of previously nucleated rutile can take place in a wider range of temperatures and energies compared to anatase. In parallel, we show relationships between crystal growth and the lateral size of a crystal. The results facilitate defining new synthesis pathways for TiO 2 , and constitute phenomena which may be relevant for other ceramics. V C 2012 American Institute of Physics. [http://dx.

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