## Abstract

The effect of pressure on magnetic properties of LaCoO_{3} is studied experimentally and theoretically. The pressure dependence of magnetic susceptibility χ of LaCoO_{3} is obtained by precise measurements of χ as a function of the hydrostatic pressure P up to 2 kbar in the temperature range from 78 K to 300 K. A pronounced magnitude of the pressure effect is found to be negative in sign and strongly temperature dependent. The obtained experimental data are analysed by using a two-level model and DFT+U calculations of the electronic structure of LaCoO_{3}. In particular, the fixed spin moment method was employed to obtain a volume dependence of the total energy difference Δ between the low spin and the intermediate spin states of LaCoO_{3}. Analysis of the obtained experimental χ(P) dependence within the two-level model, as well as our DFT+U calculations, have revealed the anomalous large decrease in the energy difference Δ with increasing of the unit cell volume. This effect, taking into account a thermal expansion, can be responsible for the temperatures dependence of Δ, predicting its vanishing near room temperature.

Original language | English |
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Pages (from-to) | 328-333 |

Number of pages | 6 |

Journal | Low Temperature Physics |

Volume | 44 |

Issue number | 4 |

DOIs | |

Publication status | Published - 1 Apr 2018 |

Externally published | Yes |

## Keywords

- DFT+U calculations
- LaCoO compound
- Magnetic susceptibility
- Pressure effect
- Spin states crossover

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