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|Title:||The Calculation of Surface States in Real Space and An Application to Fe(OO1)|
|Issue Date:||2020-04-20 16:03:48 (UTC+8)|
|Abstract:||We develop a real-space method for the calculation of surface electronic structure. The approach is based on the linear muffin-tin orbitals and recursive Green’s function and can achieve self-consistency efficiently. As an application, the local density of states of Fe(OO1) system is calculated. We obtain a few surface states above and below the Fermi level. The locations of these states are in good agreement with experimental results.|
|Relation:||Chinese Journal of Physics, Vol.35, No.1, pp.90-95|
|Appears in Collections:||[應用物理研究所 ] 期刊論文|
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