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Magnetic and elastic properties ofYCo5andLaCo5under pressure

Authors :
Michael Hanfland
Ulrich S. Schwarz
Karl-Hartmut Müller
Axel Handstein
Daniela Koudela
Klaus Koepernik
Michael D. Kuz’min
Ulrich Burkhardt
Ingo Opahle
Manuel Richter
Helge Rosner
Source :
Physical Review B. 77
Publication Year :
2008
Publisher :
American Physical Society (APS), 2008.

Abstract

High hydrostatic pressure destroys the strong ferromagnetism in $\mathrm{Y}{\mathrm{Co}}_{5}$. The transformation proceeds in a stepwise fashion, as a first-order phase transition $({P}_{\mathrm{crit}}=18\ifmmode\pm\else\textpm\fi{}2\phantom{\rule{0.3em}{0ex}}\mathrm{GPa})$, and is accompanied by an isomorphic (without change of symmetry) lattice collapse and a topological change of the Fermi surface. Accurate full-potential density-functional calculations enable us to ascribe these phenomena to a quasi-one-dimensional $3d$-like band, whose top under ambient pressure is situated $\ensuremath{\sim}0.1\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ below the Fermi level. Lattice compression drives the top of the nondispersive band---and the associated peak in the majority density of states---upward in energy, until they reach the Fermi level and the system becomes unstable. A similar transition at a somewhat higher pressure $(23\phantom{\rule{0.3em}{0ex}}\mathrm{GPa})$ is predicted for the isomorphous compound $\mathrm{La}{\mathrm{Co}}_{5}$.

Details

ISSN :
1550235X and 10980121
Volume :
77
Database :
OpenAIRE
Journal :
Physical Review B
Accession number :
edsair.doi...........2e503684388cf2f0580c4e2b9f047632
Full Text :
https://doi.org/10.1103/physrevb.77.024411