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Phys. Rev. B 81, 024430 (2010) [9 pages]

Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory

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F. G. Eich1,2,3,*, S. Kurth4,5,3, C. R. Proetto2,3,†, S. Sharma1,3, and E. K. U. Gross1,3
1Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany
2Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany
3European Theoretical Spectroscopy Facility (ETSF)
4Nano-Bio Spectroscopy Group, Depto. de Física de Materiales, Universidad del País Vasco UPV/EHU, Centro Mixto CSIC-UPV/EHU, Av. Tolosa 72, E-20018 San Sebastián, Spain
5IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao, Spain

Received 2 October 2009; published 29 January 2010

The noncollinear spin-spiral density wave of the uniform electron gas is studied in the framework of reduced-density-matrix-functional theory. For the Hartree-Fock approximation, which can be obtained as a limiting case of reduced-density-matrix-functional theory, Overhauser showed a long-time ago that the paramagnetic state of the electron gas is unstable with respect to the formation of charge- or spin-density waves. Here we not only present a detailed numerical investigation of the spin-spiral density wave in the Hartree-Fock approximation but also investigate the effects of correlations on the spin-spiral density wave instability by means of a recently proposed density-matrix functional.

© 2010 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.81.024430
DOI:
10.1103/PhysRevB.81.024430
PACS:
71.10.Ca, 71.15.-m, 73.22.Gk, 75.30.Fv

*eich@physik.fu-berlin.de

Permanent address: Centro Atómico Bariloche and Instituto Balseiro, 8400 S. C. de Bariloche, Río Negro, Argentina.