Unified approach to electronic, thermodynamical, and transport properties of Fe3Si and Fe3Al alloys

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F14%3A10283185" target="_blank" >RIV/00216208:11320/14:10283185 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1103/PhysRevB.90.134408" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.90.134408</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.90.134408" target="_blank" >10.1103/PhysRevB.90.134408</a>

Result language

angličtina

Original language name

Unified approach to electronic, thermodynamical, and transport properties of Fe3Si and Fe3Al alloys

Original language description

The electronic, thermodynamical, and transport properties of ordered Fe3X (X = Al, Si) alloys are studied from first principles. We present here a unified approach to the phase stability, the estimate of the Curie temperature, the temperature dependenceof sublattice magnetizations, magnon spectra, the spin-stiffnesses, and residual resistivities. An important feature of the present study is that all calculated physical properties are determined in the framework of the same first-principles electronic structure model combined with the effective Ising and Heisenberg Hamiltonians used for study of the thermodynamical properties of alloys. Curie temperatures, spin-stiffnesses, and magnon spectra are determined using the same calculated exchange integrals.Finally, the transport properties are calculated using the linear-response theory. Our theoretical estimates compare well with available experimental data. In particular, calculations predict (in agreement with experiment) the ordered D0

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

<a href="/en/project/GAP204%2F12%2F0692" target="_blank" >GAP204/12/0692: Magnetic poly-functional materials ? new access of theory and experiment</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

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

Name of the periodical

Physical Review B - Condensed Matter and Materials Physics

ISSN

1098-0121

e-ISSN

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Volume of the periodical

90

Issue of the periodical within the volume

13

Country of publishing house

US - UNITED STATES

Number of pages

10

Pages from-to

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UT code for WoS article

000344018900002

EID of the result in the Scopus database

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