Moment‐Volume Coupling in La(Fe1−xSix)13

Gruner, Markus E.; Keune, W.; Landers, Joachim; Salamon, Soma; Krautz, Maria; Zhao, Jiyong; Hu, Michael Y.; Toellner, T. S.; Esen, E.; Gutfleisch, Oliver; Wende, Heiko

doi:10.1002/pssb.201700465

Cited by 19 publications

(30 citation statements)

References 96 publications

(121 reference statements)

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“…This is expressed quantitatively in terms of the vibrational density of states (VDOS) g ( ϵ ), which can be measured by inelastic neutron scattering or nuclear resonant inelastic X‐ray scattering . VDOS and phonon dispersion relations have been calculated from first principles achieving excellent agreement with experimental data . The expression for S lat resembles S el , where the expression in the parentheses takes into account the Bosonic character of the phonons through the Bose–Einstein distribution function n ( ϵ , T )=(exp( ϵ / k B T )−1) −1 for the occupation numbers, which becomes large for high T or small phonon energies ϵ :

true S_{normall normala normalt} = 3 k_{B} \int_{0}^{\infty} g ((), ϵ) [(1 + n (() ϵ, T)) l n (1 + n (() ϵ, T)) - n (ϵ, T) l n (n (() ϵ, T))] normald ϵ

…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 94%

“…However, one strictly cannot assume that the degrees of freedom are totally independent. For instance, the itinerant electron metamagnet La(Fe x Si 1− x ) 13 , is characterized by a competition of electronic states of Fe with different magnetic moments . Due to this, magnetic disorder leads to an increased DOS at E F , which improves the electronic screening of atomic displacements and thus softens the lattice .…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

“…All technical details can be found in Ref. . The experimentally obtained VDOS is shown for both magnetic states in Figure .…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

“…Figure adapted from Refs. , used with permission. Original figures ©American Physical Society and Wiley‐VCH.…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

“…The individual site‐resolved moments are grouped along the x ‐axis according to their Wyckoff position (data taken from Ref. ).…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

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Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications

et al. 2018

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Magnetic refrigeration relies on a substantial entropy change in a magnetocaloric material when a magnetic field is applied. Such entropy changes are present at first‐order magnetostructural transitions around a specific temperature at which the applied magnetic field induces a magnetostructural phase transition and causes a conventional or inverse magnetocaloric effect (MCE). First‐order magnetostructural transitions show large effects, but involve transitional hysteresis, which is a loss source that hinders the reversibility of the adiabatic temperature change ΔTad. However, reversibility is required for the efficient operation of the heat pump. Thus, it is the mastering of that hysteresis that is the key challenge to advance magnetocaloric materials. We review the origin of the large MCE and of the hysteresis in the most promising first‐order magnetocaloric materials such as Ni–Mn‐based Heusler alloys, FeRh, La(FeSi)13‐based compounds, Mn3GaC antiperovskites, and Fe2P compounds. We discuss the microscopic contributions of the entropy change, the magnetic interactions, the effect of hysteresis on the reversible MCE, and the size‐ and time‐dependence of the MCE at magnetostructural transitions.

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true S_{normall normala normalt} = 3 k_{B} \int_{0}^{\infty} g ((), ϵ) [(1 + n (() ϵ, T)) l n (1 + n (() ϵ, T)) - n (ϵ, T) l n (n (() ϵ, T))] normald ϵ

…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 94%

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

“…All technical details can be found in Ref. . The experimentally obtained VDOS is shown for both magnetic states in Figure .…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

“…Figure adapted from Refs. , used with permission. Original figures ©American Physical Society and Wiley‐VCH.…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

“…The individual site‐resolved moments are grouped along the x ‐axis according to their Wyckoff position (data taken from Ref. ).…”

Section: Disentangling the Microscopic Contributions To The Entropy Cmentioning

confidence: 99%

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Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications

et al. 2018

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High‐Throughput Design of Magnetocaloric Materials for Energy Applications: MM´X alloys

et al. 2023

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Magnetic refrigeration offers an energy efficient and environmental friendly alternative to conventional vapor-cooling. However, its adoption depends on materials with tailored magnetic and structural properties. Here a high-throughput computational workflow for the design of magnetocaloric materials is introduced. Density functional theory calculations are used to screen potential candidates in the family of MM'X (M/M' = metal, X = main group element) compounds. Out of 274 stable compositions, 46 magnetic compounds are found to stabilize in both an austenite and martensite phase. Following the concept of Curie temperature window, nine compounds are identified as potential candidates with structural transitions, by evaluating and comparing the structural phase transition and magnetic ordering temperatures. Additionally, the use of doping to tailor magnetostructural coupling for both known and newly predicted MM'X compounds is predicted and isostructural substitution as a general approach to engineer magnetocaloric materials is suggested.

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Emergence of a Hidden Magnetic Phase in LaFe₁₁_.₈Si₁_.₂ Investigated by Inelastic Neutron Scattering as a Function of Magnetic Field and Temperature

Morrison,

Betouras,

Venkat

et al. 2024

Advanced Physics Research

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The NaZn13 type itinerant magnet LaFe13−xSix has seen considerable interest due to its unique combination of large magnetocaloric effect and low hysteresis. Here, this alloy with a combination of magnetometry, bespoke microcalorimetry, and inelastic neutron scattering is investigated. Inelastic neutron scattering reveals the presence of broad quasielastic scattering that persists across the magnetic transition, which is attributed to spin fluctuations. In addition, a quasielastic peak is observed at Q = 0.52 Å−1 for x = 1.2 that exists only in the paramagnetic state in proximity to the itinerant metamagnetic transition and argue that this indicates emergence of a hidden mag the netic phase that drives the first‐order phase transition in this system.

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Moment‐Volume Coupling in La(Fe_1−xSi_x)₁₃

Cited by 19 publications

References 96 publications

Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications

Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications

High‐Throughput Design of Magnetocaloric Materials for Energy Applications: MM´X alloys

Emergence of a Hidden Magnetic Phase in LaFe₁₁_.₈Si₁_.₂ Investigated by Inelastic Neutron Scattering as a Function of Magnetic Field and Temperature

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Moment‐Volume Coupling in La(Fe1−xSix)13

Cited by 19 publications

References 96 publications

Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications

Hysteresis Design of Magnetocaloric Materials—From Basic Mechanisms to Applications

High‐Throughput Design of Magnetocaloric Materials for Energy Applications: MM´X alloys

Emergence of a Hidden Magnetic Phase in LaFe11.8Si1.2 Investigated by Inelastic Neutron Scattering as a Function of Magnetic Field and Temperature

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Moment‐Volume Coupling in La(Fe_1−xSi_x)₁₃

Emergence of a Hidden Magnetic Phase in LaFe₁₁_.₈Si₁_.₂ Investigated by Inelastic Neutron Scattering as a Function of Magnetic Field and Temperature