The “disordered local moment” picture of itinerant magnetism at finite temperatures

Staunton, J. B.; Györffy, B. L.; Pindor, A J; Stocks, G. M.; Winter, H.

doi:10.1016/0304-8853(84)90367-6

Cited by 190 publications

(68 citation statements)

References 20 publications

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“…The Perdew-Burke-Ernzerhof exchange-correlation approximation [21] gave a good description of the lattice parameters and magnetic moments. The paramagnetic phase was modeled within the coherent potential approximation [22] combined with the disordered local moment [23,24] approach. This approximation accurately describes the paramagnetic state with randomly oriented local magnetic moments [23].…”

Section: Electronic Structure Calculationsmentioning

confidence: 99%

Mössbauer study of the magnetocaloric compound AlFe2 B 2

et al. 2016

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The crystal and magnetic structures of AlFe 2 B 2 have been studied with a combination of X-ray and neutron diffraction and electronic structure calculations. The magnetic and magnetocaloric properties have been investigated by magnetisation measurements. The samples have been produced using high temperature synthesis and subsequent heat treatments. The compound crystallises in the orthorhombic crystal system Cmmm and it orders ferromagnetically at 285 K through a second order phase transition. At temperatures below the magnetic transition the magnetic moments align along the crystallographic a-axis. The magnetic entropy change from 0 to 800 kA/m was found to be -1.3 J/K kg at the magnetic transition temperature.

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Section: Electronic Structure Calculationsmentioning

confidence: 99%

Mössbauer study of the magnetocaloric compound AlFe2 B 2

et al. 2016

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“…(16). Their contribution prevents the result from reaching the bosonic solution and enforces an upper bound on the fermionic ground state.…”

Section: Working With Complex Guiding Wave Functions To Avoid the mentioning

confidence: 99%

“…This approach has been long known to severely underestimate the critical Curie temperatures of magnetic sys-tems. [16][17][18] Including temperature for magnetic systems is possible for cases where the magnetic excitations can be treated classically 19,20 and the electrons can be assumed to be in the ground state for constrained configurations of the spins. 21 But an adequate description of the electronic entropy in the subspace that preserves the spin is still lacking.…”

Section: Introductionmentioning

confidence: 99%

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

Reboredo

Kim

2014

The Journal of Chemical Physics

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(1988)]. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric guiding wave functions. In the process we obtain a parallel algorithm that optimizes a small subspace of the many-body Hilbert space to have maximum overlap with the subspace spanned by the lowest-energy eigenstates of a many-body Hamiltonian. We show in a model system that the partition function is progressively maximized within this subspace. We show that the subspace spanned by the small basis systematically converges towards the subspace spanned by the lowest energy eigenstates.Possible applications of this method to calculate the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can be also used to accelerate the calculation of the ground or excited states with Quantum Monte Carlo.

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“…In addition to the study of metallic alloys, [2][3][4][5] , this includes among various examples doped semiconductors, but also random spin systems 6 such as magnetic materials above a critical ordering temperature 7 and further scenarios.…”

Section: Introductionmentioning

confidence: 99%

Generalized inclusion of short-range ordering effects in the coherent potential approximation for complex-unit-cell materials

et al. 2013

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The coherent potential approximation has historically allowed the efficient study of disorder effects over a variety of solid state systems. Its original formulation is however limited to a single-site or uncorrelated model of local substitutions. This neglects the effects of correlation and short range ordering, often found in realistic materials. Recent theoretical work has shown how to systematically address such shortcomings, for simple materials with only one element per unit cell. We briefly review the basic ideas of these developments within the framework of multiple scattering theory, and suggest their generalization to materials with complex lattices and possibly different types of disorder. We illustrate this extension with an example of local environment effects in the exotic Hapkeite F e − F e 37.5% Si 62.5% compound.

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The “disordered local moment” picture of itinerant magnetism at finite temperatures

Cited by 190 publications

References 20 publications

Mössbauer study of the magnetocaloric compound AlFe2 B 2

Mössbauer study of the magnetocaloric compound AlFe2 B 2

Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

Generalized inclusion of short-range ordering effects in the coherent potential approximation for complex-unit-cell materials

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