# Mixing $A$ -type and $G$ -type $B$ -site antiferromagnetism in $A\mathrm{M}{\mathrm{n}}_{1\text{-}x}\mathrm{F}{\mathrm{e}}_{x}{\mathrm{O}}_{3}\phantom{\rule{0ex}{0ex}}(A=\mathrm{La},\text{Nd})$

## Abstract

Using a classical Heisenberg model with anisotropic nearest-neighbor superexchange and uniaxial anisotropy, I investigate the magnetic order of the transition metals on the B sites in AMn _{1-x}Fe _{x}O _{3}(A=La, Nd; x=[0,1]) with Monte Carlo methods. Magnetic parameters are extracted from preexisting experimental data when available and otherwise estimated with calculations. Superexchange energies are compared to density functional theory and anisotropy energies to ligand field theory, and the potential for doping-induced strain affecting these parameters is considered. I find coexistence regions of different types of magnetic order (A-type and G-type antiferromagnetism), regions with distinct magnetic transitions for the two order parameters, noncollinear ground states for intermediate values of x that decrease the amplitude of the ordered moment in a way consistent with experiment for low dopings, and a reproduction of the experimentally determined, nonmonotonic interpolation of the ordering temperatures. The detailed shape of the phase boundaries in (x,T) space is found to be diagnostic of the magnetic interactions. Finally, these results also suggest a ferrimagnetic ground state for the A _{2}MnFeO _{6} double perovskite with T _{N}≈270K for A=La and Nd.

- Authors:

- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division

- Publication Date:

- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

- OSTI Identifier:
- 1488711

- Alternate Identifier(s):
- OSTI ID: 1478559

- Grant/Contract Number:
- AC05-00OR22725; 7739

- Resource Type:
- Journal Article: Accepted Manuscript

- Journal Name:
- Physical Review B

- Additional Journal Information:
- Journal Volume: 98; Journal Issue: 13; Journal ID: ISSN 2469-9950

- Publisher:
- American Physical Society (APS)

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

### Citation Formats

```
Pajerowski, Daniel M.
```*Mixing A -type and G -type B -site antiferromagnetism in AMn1-xFexO3(A=La,Nd)*. United States: N. p., 2018.
Web. doi:10.1103/PhysRevB.98.134431.

```
Pajerowski, Daniel M.
```*Mixing A -type and G -type B -site antiferromagnetism in AMn1-xFexO3(A=La,Nd)*. United States. doi:10.1103/PhysRevB.98.134431.

```
Pajerowski, Daniel M. Wed .
"Mixing A -type and G -type B -site antiferromagnetism in AMn1-xFexO3(A=La,Nd)". United States.
doi:10.1103/PhysRevB.98.134431.
```

```
@article{osti_1488711,
```

title = {Mixing A -type and G -type B -site antiferromagnetism in AMn1-xFexO3(A=La,Nd)},

author = {Pajerowski, Daniel M.},

abstractNote = {Using a classical Heisenberg model with anisotropic nearest-neighbor superexchange and uniaxial anisotropy, I investigate the magnetic order of the transition metals on the B sites in AMn1-xFexO3(A=La, Nd; x=[0,1]) with Monte Carlo methods. Magnetic parameters are extracted from preexisting experimental data when available and otherwise estimated with calculations. Superexchange energies are compared to density functional theory and anisotropy energies to ligand field theory, and the potential for doping-induced strain affecting these parameters is considered. I find coexistence regions of different types of magnetic order (A-type and G-type antiferromagnetism), regions with distinct magnetic transitions for the two order parameters, noncollinear ground states for intermediate values of x that decrease the amplitude of the ordered moment in a way consistent with experiment for low dopings, and a reproduction of the experimentally determined, nonmonotonic interpolation of the ordering temperatures. The detailed shape of the phase boundaries in (x,T) space is found to be diagnostic of the magnetic interactions. Finally, these results also suggest a ferrimagnetic ground state for the A2MnFeO6 double perovskite with TN≈270K for A=La and Nd.},

doi = {10.1103/PhysRevB.98.134431},

journal = {Physical Review B},

number = 13,

volume = 98,

place = {United States},

year = {Wed Oct 17 00:00:00 EDT 2018},

month = {Wed Oct 17 00:00:00 EDT 2018}

}

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