### Abstract

A low concentration of rare earths (Formula presented) plays an important role in magnetic materials because of their large anisotropy. However, the Curie temperature (Formula presented) has a decreasing trend with increasing Fe concentration in (Formula presented)-Fe compounds. In order to understand the variation of (Formula presented) as a function of iron concentration we carry out self-consistent spin-polarized electronic structure calculations for the sequence (Formula presented) where yttrium is a prototype (Formula presented) element. The exchange interaction parameters are derived using the infinitesimal angle approach. The Monte Carlo simulations based on the Heisenberg Hamiltonian are carried out to derive (Formula presented) of Y-Fe compounds and results are in very good agreement with experimental data. The changes in the magnetic properties with Fe concentration are analyzed in terms of the local environment and magnetovolume effects.

Original language | English (US) |
---|---|

Pages (from-to) | 7767-7772 |

Number of pages | 6 |

Journal | Physical Review B - Condensed Matter and Materials Physics |

Volume | 57 |

Issue number | 13 |

DOIs | |

State | Published - Jan 1 1998 |

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### ASJC Scopus subject areas

- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics

### Cite this

*Physical Review B - Condensed Matter and Materials Physics*,

*57*(13), 7767-7772. https://doi.org/10.1103/PhysRevB.57.7767

**Electronic structure and magnetic properties of Y-Fe compounds.** / Sabiryanov, R.; Jaswal, S.

Research output: Contribution to journal › Article

*Physical Review B - Condensed Matter and Materials Physics*, vol. 57, no. 13, pp. 7767-7772. https://doi.org/10.1103/PhysRevB.57.7767

}

TY - JOUR

T1 - Electronic structure and magnetic properties of Y-Fe compounds

AU - Sabiryanov, R.

AU - Jaswal, S.

PY - 1998/1/1

Y1 - 1998/1/1

N2 - A low concentration of rare earths (Formula presented) plays an important role in magnetic materials because of their large anisotropy. However, the Curie temperature (Formula presented) has a decreasing trend with increasing Fe concentration in (Formula presented)-Fe compounds. In order to understand the variation of (Formula presented) as a function of iron concentration we carry out self-consistent spin-polarized electronic structure calculations for the sequence (Formula presented) where yttrium is a prototype (Formula presented) element. The exchange interaction parameters are derived using the infinitesimal angle approach. The Monte Carlo simulations based on the Heisenberg Hamiltonian are carried out to derive (Formula presented) of Y-Fe compounds and results are in very good agreement with experimental data. The changes in the magnetic properties with Fe concentration are analyzed in terms of the local environment and magnetovolume effects.

AB - A low concentration of rare earths (Formula presented) plays an important role in magnetic materials because of their large anisotropy. However, the Curie temperature (Formula presented) has a decreasing trend with increasing Fe concentration in (Formula presented)-Fe compounds. In order to understand the variation of (Formula presented) as a function of iron concentration we carry out self-consistent spin-polarized electronic structure calculations for the sequence (Formula presented) where yttrium is a prototype (Formula presented) element. The exchange interaction parameters are derived using the infinitesimal angle approach. The Monte Carlo simulations based on the Heisenberg Hamiltonian are carried out to derive (Formula presented) of Y-Fe compounds and results are in very good agreement with experimental data. The changes in the magnetic properties with Fe concentration are analyzed in terms of the local environment and magnetovolume effects.

UR - http://www.scopus.com/inward/record.url?scp=0001486788&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001486788&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.57.7767

DO - 10.1103/PhysRevB.57.7767

M3 - Article

AN - SCOPUS:0001486788

VL - 57

SP - 7767

EP - 7772

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 13

ER -