Surface and Image-Potential States on the MgB_2(0001) Surfaces

Physics – Condensed Matter – Materials Science

Scientific paper

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3 pages, 6 figures

Scientific paper

10.1103/PhysRevB.64.172512

We present a self-consistent pseudopotential calculation of surface and image-potential states on $MgB_2(0001)$ for both $B$-terminated ($B-t$) and $Mg$-terminated ($Mg-t$) surfaces. We find a variety of very clear surface and subsurface states as well as resonance image-potential states n=1,2 on both surfaces. The surface layer DOS at $E_F$ is increased by 55% at $B-t$ and by 90% at the $Mg-t$ surface compared to DOS in the corresponding bulk layers.

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