Journal ArticleDOI
Self-consistent band structure of paramagnetic, ferromagnetic and antiferromagnetic ordered FeRh
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In this paper, the electronic band structure and partial densities of states of paramagnetic, ferromagnetic and antiferromagnetic ordered FeRh are calculated self-consistently, using the linear muffin-tin orbitals (LMTO) method.Abstract:
The electronic band structure and partial densities of states of paramagnetic, ferromagnetic and antiferromagnetic ordered FeRh are calculated self-consistently, using the linear muffin-tin orbitals (LMTO) method. Comparison is made with other theoretical results and the experimental data. The computer values of the electronic specific heat coefficient and the magnetic moments on each site are in godd agreement with the available calorimetric, magnetisation and neutron diffraction data.read more
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Anomalously high entropy change in FeRh alloy
TL;DR: In this article, the temperature dependences of heat expansion, elastocaloric effect, magnetocaloric effects, and the shift in the critical temperature of the transition due to tensile stress have been measured using samples of the same concentration Fe49Rh51 in the antiferromagnetic-ferromagnetic (AF•F) transition range.
Journal ArticleDOI
Alloys of the FeRh system as a new class of working material for magnetic refrigerators
TL;DR: In this article, the temperature dependences of initial magnetic permeability, specific heat capacity and magnetocaloric effect in annealed and quenched samples of Fe 48 Rh 51 alloys near the antiferromagnetic-ferromagnetic (AF-F) first-order phase transition have been investigated.
Journal ArticleDOI
Fe Spin Reorientation across the Metamagnetic Transition in Strained FeRh Thin Films
C. Bordel,C. Bordel,Jean Juraszek,David W. Cooke,Chloe Baldasseroni,Sergiy Mankovsky,J. Minár,Hubert Ebert,S. Moyerman,Eric E. Fullerton,Frances Hellman,Frances Hellman +11 more
TL;DR: Density-functional theory calculations enabled this spin-reorientation transition to be accurately reproduced for both FeRh films across the AFM-FM phase transition and show that these results are due to differences in strain.
Journal ArticleDOI
Coupled magnetic, structural, and electronic phase transitions in FeRh
TL;DR: The B2-ordered intermetallic magnetic compound FeRh exhibits a thermodynamically first-order phase transition in the vicinity of room temperature that makes it a highly intriguing subject for both fundamental and applied study as mentioned in this paper.
Journal ArticleDOI
Thermodynamic measurements of Fe-Rh alloys.
David W. Cooke,David W. Cooke,Frances Hellman,Frances Hellman,Chloe Baldasseroni,C. Bordel,S. Moyerman,Eric E. Fullerton +7 more
TL;DR: The integrated entropy and enthalpy differences between the two alloys up to T(AFM>FM) agree with the previously measured entropy of the transition and yield a T=0 energy difference of 3.4 J/g, consistent with literature calculations and experimental data; this agreement supports the use of the Fe-rich FM sample as a proxy for the (unstable) FM state of the AFM Rh-rich sample.
References
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Journal ArticleDOI
Linear methods in band theory
TL;DR: In this article, the authors proposed a method to improve our understanding of the behavior of real solids by using calculations of the electronic structure of real molecules and solids in order to improve the search for new and better materials.
Journal ArticleDOI
A local exchange-correlation potential for the spin polarized case: I
U von Barth,L Hedin +1 more
TL;DR: In this article, a spin dependent one-electron potential pertinent to ground state properties is obtained from calculations of the total energy per electron made with a 'bubble' (or random phase) type of dielectric function.
Journal ArticleDOI
Simplified LCAO Method for the Periodic Potential Problem
John C. Slater,G. F. Koster +1 more
TL;DR: In this paper, the LCAO interpolation method was used as an interpolation technique in connection with more accurate calculations made by the cellular or orthogonalized plane-wave methods.
Journal ArticleDOI
Explicit local exchange-correlation potentials
Lars Hedin,Bengt I. Lundqvist +1 more
TL;DR: In this article, the Hohenberg-Kohn-Sham local density theory is explored in view of recent advances in the theory of the interacting electron gas, and the authors discuss and provide numerical data for the effective exchange-correlation potentials mu xc for ground state problems and Vxc for excitation spectra.
Journal ArticleDOI
Unusual Nature of the Abrupt Magnetic Transition in FeRh and Its Pseudobinary Variants
TL;DR: In this article, it was shown that the total entropy change at the transition of FeRh is much larger than the estimated change in lattice entropy (ΔS)lat, which is attributed to thermal excitation of the Rh moments which in the ferromagnetic state are induced.
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