Realistic first|principles calculations of the magnetocaloric effect

Realistic first-principles calculations of the magnetocaloric effect

The temperature dependence is reported for the entropy change, specific heat and magnetization for hcp Gd. To obtain optimal accuracy in the ...

Realistic first-principles calculations of the magnetocaloric effect

The temperature dependence is reported for the entropy change, specific heat and magnetization for hcp Gd. To obtain optimal accuracy in the calculations, a ...

[PDF] Realistic first-principles calculations of the magnetocaloric effect

We present an efficient computational approach to evaluate field-dependent entropy of magnetocaloric materials from ab-initio methods.

Realistic first-principles calculations of the magnetocaloric effect

Vieira, R. Martinho ; Eriksson, O. ; Björkman, T. et al. / Realistic first-principles calculations of the magnetocaloric effect: applications to ...

Magnetocaloric effect and phase transformation of LaFe 11.0 M 0.5 ...

According to the Arrott curve and the field dependence method of the magnetocaloric effect (MCE), when Cu = 0.5 and Ni = 0.5, the alloy phase ...

First principles and mean field study on the magnetocaloric effect of ...

In this work, the magnetothermal characteristics and magnetocaloric effect in YFe3 and HoFe3 compounds are calculated as function of temperature ...

First-principles calculations to investigate electrochemical ...

The electrochemical performance, storage mechanism, and magnetocaloric effect of LiFeBO3 and FeBO3 for lithium-ion batteries and magnetic ...

Chapter 1 The magnetocaloric effect

This effect has been called adiabatic demagnetisation for years, though this fenomenon is one practical application of the MCE in magnetic materials. For.

Magnetocaloric effect, electronic and magnetic properties of Ba 1-x ...

The total magnetic moment and the exchange couplings are deduced from Ab initio calculations, using Monte Carlo simulations, to a quantitative agreement with ...

Exploring magnetocaloric materials by ab-initio methods - DiVA portal

The study involves benchmarking entropy calculations in systems like FeRh, which exhibits a first-order metamagnetic transition, and Gd, with a ...

Impact of dimensionality on the magnetocaloric effect in two ...

We find that 2D features such as reduced Curie temperature, sharper magnetic transition, and higher magnetic susceptibility are beneficial for ...

Ab initio investigation of magnetic properties of magnetocaloric ...

State-of-the-art first-principles calculations will be used to get information on magnetic properties ...

Best Practices in Evaluation of the Magnetocaloric Effect from Bulk ...

prospective magnetocaloric materials that exhibit either first- or second-order ... at a given field change and temperature that is real ... Temperature step effect ...

Exploring magnetocaloric materials by ab-initio methods - uu .diva

II Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd. Rafael Martinho Vieira, Olle Eriksson ...

van der Waals crystal of MnCoAs - Physical Review Journals

... realistic system to achieve a large MCE. Based on first-principles calculations, we identify that 2D MnCoAs is a robust ferromagnetic metal ...

Magnetocaloric effect from indirect measurements: Magnetization ...

A reliable estimate of the experimental errors in the calculated magnetocaloric effect can be made from the known experimental errors of the measured physical ...

Magnetocaloric Effect in Lightly-Doped Fe 5 Si 3 Single Crystals

The magnetic moment of the system is also enhanced. Density functional theory (DFT) calculations are performed to gain microscopic insights into ...

Magnetocaloric effect near room temperature in a freestanding two ...

... realistic system to achieve a large MCE. Based on first-principles calculations, we identify that 2D MnCoAs is a robust ferromagnetic metal, whose specific ...

Critical behavior and magnetocaloric effect in ${\mathrm{VI}}_{3}

This is consistent with deduced from heat capacity and the corresponding adiabatic temperature change with out-of-plane field change of 5 T. The ...

Magnetic Properties and Magnetocaloric Effect in Layered NdMn1 ...

1Si2 associated with first order magnetic transition from antiferromagnetic [AFil-type] to ferromagnetic [F(Nd)+Fmc]. This behaviorhas been confirmed as.