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|Type:||Artigo de periódico|
|Title:||Spectral Density Of Surface States For Tio And Vo: (001) Surface|
da Silva C.E.T.G.
|Abstract:||We present a calculation of the spectral density of states for crystals of TiO and VO with (001) cleaved surfaces. The transfer matrix formalism is employed, with a hamiltonian including the O 2p and the metal 3d orbitals. Slater-Koster parameters obtained by Mattheiss (1972) from a bulk calculation are used. The results are obtained at three special points in the 2D Brillouin zone for three different (001) planes: surface plane, plane immediately below it and bulk plane. In the neighborhood of the point M there is an intrinsic surface state and a surface resonance due to the hybridization between ligand and metal orbitals. The surface state has mixed eg and pz symmetry along the Σ symmetry line and lies above the Fermi level. No surface relaxation or reconstruction is considered. © 1978.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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