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1.
Phys Rev Lett ; 128(15): 157206, 2022 Apr 15.
Artículo en Inglés | MEDLINE | ID: mdl-35499873

RESUMEN

We show from first principles that barrel-shaped structures within the Fermi surface of the centrosymmetric intermetallic compounds GdRu_{2}Si_{2} and Gd_{2}PdSi_{3} give rise to Fermi surface nesting, which determines the strength and sign of quasi-two-dimensional Ruderman-Kittel-Kasuya-Yosida pairwise exchange interactions between the Gd moments. This is the principal mechanism leading to their helical single-q spin-spiral ground states, providing transition temperatures and magnetic periods in good agreement with experiment. Using atomistic spin-dynamic simulations, we draw a direct line between the subtleties of the three-dimensional Fermi surface topology and the stabilization of a square skyrmion lattice in GdRu_{2}Si_{2} at applied magnetic fields as observed in experiment.

2.
Phys Rev Lett ; 118(19): 197202, 2017 May 12.
Artículo en Inglés | MEDLINE | ID: mdl-28548504

RESUMEN

We describe a disordered local moment theory for long-period magnetic phases and investigate the temperature and magnetic field dependence of the magnetic states in the heavy rare earth elements (HREs), namely, paramagnetic, conical and helical antiferromagnetic (HAFM), fan, and ferromagnetic (FM) states. We obtain a generic HRE magnetic phase diagram which is consequent on the response of the common HRE valence electronic structure to f-electron magnetic moment ordering. The theory directly links the first-order HAFM-FM transition to the loss of Fermi surface nesting, induced by this magnetic ordering, as well as provides a template for analyzing the other phases and exposing where f-electron correlation effects are particularly intricate. Gadolinium, for a range of hexagonal, close-packed lattice constants c and a, is the prototype, described ab initio, and applications to other HREs are made straightforwardly by scaling the effective pair and quartic local moment interactions that emerge naturally from the theory with de Gennes factors and choosing appropriate lanthanide-contracted c and a values.

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