Signature of surface states on NMR chemical shifts: A theoretical prediction
- 15 July 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 60 (4) , 2941-2945
- https://doi.org/10.1103/physrevb.60.2941
Abstract
We show with an ab initio calculation that electronic surface states have a strong effect on NMR chemical-shift spectra. For the hydrogen-chemisorbed diamond (111) surface, we find that the atomic layers close to the surface experience a variation of the chemical shift, which is proportional to the density of empty surface states. This effect could be used as a direct probe of the surface-state density profile, by measuring experimentally the NMR chemical shift resolved for each atomic layer.Keywords
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