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First-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00422581" target="_blank" >RIV/68378271:_____/13:00422581 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1103/PhysRevB.87.075452" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.87.075452</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1103/PhysRevB.87.075452" target="_blank" >10.1103/PhysRevB.87.075452</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    First-principles study of thermodynamical properties of random magnetic overlayers on fcc-Cu(001) substrate

  • Original language description

    We present a theoretical study of the thermodynamical properties of a fcc-Cu(001) substrate covered by an iron-cobalt monolayer as well as by an incomplete iron layer. The effective two-dimensional Heisenberg Hamiltonian is constructed from first principles and the properties of exchange interactions are investigated. The Curie temperatures are estimated using the Monte Carlo (MC) simulations and compared with a simplified approach using the random-phase approximation (RPA) in connection with the virtual-crystal approach (VCA) to treat randomness in exchange integrals. Calculations indicate a weak maximum of the Curie temperature as a function of composition of the iron-cobalt overlayer. While a good quantitative agreement between RPA-VCA and MC was found for the iron-cobalt monolayer, the RPA-VCA approach fails for low coverage due to the magnetic percolation effect. We also present a study of the effect of alloy disorder on the shape of magnon spectra of random overlayers.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    BE - Theoretical physics

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GA202%2F09%2F0775" target="_blank" >GA202/09/0775: Multiscale theory of surface alloys and inhomogeneities at solid surfaces</a><br>

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2013

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Physical Review. B

  • ISSN

    1098-0121

  • e-ISSN

  • Volume of the periodical

    87

  • Issue of the periodical within the volume

    7

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    8

  • Pages from-to

    "075452-1"-"075452-7"

  • UT code for WoS article

    000315482500011

  • EID of the result in the Scopus database