Published November 1, 2019 | Version v1
Journal article Metadata-only

First-principles study of the structure and properties of Fe-Rh-Ir alloys

Creators

  • 1. Department of Condensed Matter, Chelyabinsk State University, 129 Br. Kashirinykh, 454001, Chelyabinsk, Russia. (Russian Federation)

Description

The magnetic and structural properties of FeRh1-xIrx (x = 0.125, 0.25, 0.375, and 0.5) alloys were studied using ab initio calculations. The two structure types (CuAu and CsCl) were considered. The equilibrium lattice parameters, total energy and magnetic moments as well as total and partial densities of states for Fe-Rh-Ir with different magnetic ordering were obtained. It is shown that the CuAu-type structure with AF-III configuration is energetically favourable for all compositions under study. The spin polarization at the Fermi level for FeRh0.125Ir0.875 ordered ferromagnetically is found to be 85 %. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/1389/1/012091

Additional details

Identifiers

DOI
10.1088/1742-6596/1389/1/012091;

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
1389
Journal Issue
1
Journal Page Range
[6 p.]
ISSN
1742-6596

Conference

Title
7. Euro-Asian Symposium Trends in Magnetism
Dates
8-13 Sep 2019
Place
Ekaterinburg (Russian Federation)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
53062825
Subject category
S36: MATERIALS SCIENCE; S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ALLOYS; CESIUM CHLORIDES; DENSITY OF STATES; EQUILIBRIUM; FERMI LEVEL; LATTICE PARAMETERS; MAGNETIC MOMENTS; MAGNETIZATION; SPIN ORIENTATION
Descriptors DEC
ALKALI METAL COMPOUNDS; CESIUM COMPOUNDS; CESIUM HALIDES; CHLORIDES; CHLORINE COMPOUNDS; ENERGY LEVELS; HALIDES; HALOGEN COMPOUNDS; ORIENTATION