UNSPECIFIED (2002) ZrZn2: Geometrical enhancement of the local density of states and quantum design of magnetic instabilities. PHYSICAL REVIEW B, 65 (9). -. doi:10.1103/PhysRevB.65.092503 ISSN 1098-0121.

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Abstract

The recent discovery of coexisting ferromagnetism and superconductivity in ZrZn2, and the fact that they are simultaneously suppressed on applying pressure [Pfleiderer et al., Nature 412, 58 (2001)] suggest the possibility of a pairing mechanism which is mediated by exchange interactions and connected with the proximity to a magnetic quantum critical point. On the basis of first principles, full potential electronic structure calculations, we study the conditions that, for ZrZn2, determine the proximity to this magnetic instability. More specifically, we discuss the role played by the geometrical arrangement of the lattice, the hybridization effects, and the presence of disorder, as well as the application of external pressure. These circumstances influence the width of the relevant Zr d bands whose narrowing, due to the reduction of the effective number of neighbors or to an increase of the cell volume, causes an enhancement of the density of states at the Fermi level. Finally, we highlight some general features that may aid the design of other materials close to magnetic instabilities.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Journal or Publication Title:	PHYSICAL REVIEW B
Publisher:	AMERICAN PHYSICAL SOC
ISSN:	1098-0121
Official Date:	1 March 2002
Dates:	Date Event 1 March 2002 UNSPECIFIED
Volume:	65
Number:	9
Number of Pages:	4
Page Range:	-
DOI:	10.1103/PhysRevB.65.092503
Publication Status:	Published

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