New interpretation of surface states in W and Mo |
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| Authors: | RV Kasowski |
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| Institution: | Experimental Station, Central Research Department, E.I. de Pont de Nemours and Company, Wilmington, Delaware 19898, U.S.A. |
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| Abstract: | The linear combination of muffin tin orbirtals (LCMTO) technique has been used to calculate surface states in the s, dz2 band gap of W and Mo. These states are found to be very sensitive to surface reconstruction effects in that they become more localized and their energies shift by ～ 0.08 Ry. Furthermore, reconstruction reduces the dangling bond charge density in the vacuum region. |
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