Nesting Induced Peierls-type Instability for Compressed Li-CI16

Details Nesting Induced Peierls-type Instability for Compressed Li-CI16 Nesting Induced Peierls-type Instability for Compressed Li-CI16

2006-07-26

arxiv.org/abs/cond-mat/0607683v1

Physics

Condensed Matter

Materials Science

Proceedings of Fukuoka 2006 Conference on Novel Pressure-induced Phenomena in Condensed Matter Systems. To be published in J.

Scientific paper

Alkalies are considered to be simple metals at ambient conditions. However, recently reported theoretical and experimental results have shown an unexpected and intriguing correlation between complex structures and an enhanced superconducting transition temperature in lithium under pressure. In this article we analyze the pressure induced Fermi surface deformation in bcc lithium, and its relation to the observed cI16 structure. According to our calculations, the Fermi surface becomes increasingly anisotropic with pressure and develops an extended nesting along the bcc [121] direction. This nesting induces a phonon instability of both transverse modes at N, so that a Peierls-type mechanism is proposed to explain the stability of Li-cI16.

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