Application of a new Tight-Binding method for transition metals: Manganese

Details Application of a new Tight-Binding method for transition metals: Manganese Application of a new Tight-Binding method for transition metals: Manganese

1995-03-09

arxiv.org/abs/mtrl-th/9503003v1

Europhysics Letters 31, 537 (1995)

Physics

Condensed Matter

Materials Science

6 pages REVTEX, plus two postscript figures. Submitted to Europhysics Letters.

Scientific paper

10.1209/0295-5075/31/9/006

A new tight-binding total energy method, which has been shown to accurately predict ground state properties of transition and noble metals, is applied to Manganese, the element with the most complex ground state structure among the $d$ metals. We show that the tight-binding method correctly predicts the ground state structure of Mn, and offers some insight into the magnetic properties of this state.

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