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  • AIP Publishing  (3)
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  • AIP Publishing  (3)
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  • 1
    Online Resource
    Online Resource
    First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1−xAlxN1−y
    AIP Publishing ; 2008
    In:  Applied Physics Letters Vol. 92, No. 7 ( 2008-02-18)
    Details
    In: Applied Physics Letters, AIP Publishing, Vol. 92, No. 7 ( 2008-02-18)
    Abstract: The effect of nitrogen substoichiometry on the isostructural phase stabilities of the cubic Ti1−xAlxN1−y system has been investigated using first-principles calculations. The preferred isostructural decomposition pattern in these metastable solid solutions was predicted from the total energy calculations on a dense concentration grid. Close to the stoichiometric Ti1−xAlxN1 limit, N vacancies increase the tendency for phase separation as N sticks to Al while the vacancies prefers Ti neighbors. For nitrogen depleated conditions, N sticks to Ti forming TiNδ (0 & lt;δ & lt;1) while Al tends to form nitrogen-free fcc-Al or Al–Ti alloys.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    URL: Article
    DOI: 10.1063/1.2838747
    RVK:
    UA 1000
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2008
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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    Online Resource
  • 2
    Online Resource
    Online Resource
    Comparison of thermodynamic properties of cubic Cr1−xAlxN and Ti1−xAlxN from first-principles calculations
    AIP Publishing ; 2007
    In:  Journal of Applied Physics Vol. 102, No. 4 ( 2007-08-15)
    Details
    In: Journal of Applied Physics, AIP Publishing, Vol. 102, No. 4 ( 2007-08-15)
    Abstract: In order to investigate the stability of the cubic phase of Cr1−xAlxN at high AlN content, first principles calculations of magnetic properties, lattice parameters, electronic structure, and mixing enthalpies of the system were performed. The mixing enthalpy was calculated on a fine concentration mesh to make possible the accurate determination of its second concentration derivative. The results are compared to calculations performed for the related compound Ti1−xAlxN and with experiments. The mixing enthalpy is discussed in the context of isostructural spinodal decomposition. It is shown that the magnetism is the key to understand the difference between the Cr- and Ti-containing systems. Cr1−xAlxN turns out to be more stable against spinodal decomposition than Ti1−xAlxN, especially for AlN-rich samples which are of interest in cutting tools applications.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    URL: Article
    DOI: 10.1063/1.2773625
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2007
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 3
    Online Resource
    Online Resource
    Structural phase transformation in the superconducting YLa x Ba2− x Cu3O7 compounds
    AIP Publishing ; 1988
    In:  Applied Physics Letters Vol. 52, No. 22 ( 1988-05-30), p. 1901-1903
    Details
    In: Applied Physics Letters, AIP Publishing, Vol. 52, No. 22 ( 1988-05-30), p. 1901-1903
    Abstract: An orthorhombic-to-tetragonal phase transformation in YLaxBa2−xCu3O7 has been observed as a function of x, but with the same oxygen concentration, from x-ray powder diffraction data. Compounds with x≤0.37 have Tc in the 93–53 K range and are orthorhombic, while compounds with x≥0.45 have Tc≤42 K and are tetragonal. An analysis of the YLa0.6Ba1.4Cu3O6.99 diffraction pattern suggests that the tetragonal structure is closely related to those of the orthorhombic YBa2Cu3O7 and the tetragonal YBa2Cu3O6 with a partial substitution of La3+ ion on the Ba2+ site and a disorder of oxygen atoms at the midpoints of both a and b unit cell edges.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    URL: Article
    DOI: 10.1063/1.99738
    RVK:
    UA 1000
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1988
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
    Location Call Number Limitation Availability
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    Online Resource
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