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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Physics of the solid state 42 (2000), S. 1373-1379 
    ISSN: 1063-7834
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The linewidths (inverse lifetimes) Γe-e of Be(0001) and Mg(0001) surface electronic states are calculated as the projection of the imaginary part of the self-energy operator of a quasiparticle onto the state. The screened Coulomb interaction is calculated using a model potential, which takes into account the energy gap in the band structure and a surface state located in this gap. The wave functions and energies of electron states are calculated by a self-consistent film pseudopotential method. It is shown that Γe-e essentially depends on the position of the surface state in the Brillouin zone. The difference between the calculated values of Γe-e and those obtained in a homogeneous electron gas model is shown to be basically due to transitions from surface bands.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Physics of the solid state 41 (1999), S. 848-853 
    ISSN: 1063-7834
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Using the self-consistent pseudopotential method, we have calculated the binding energy of the image states for the (0001) $$(10\bar 10)$$ , and $$(11\bar 20)$$ surfaces of beryllium. It is shown for the (0001) face that there exists a pronounced resonance image state with n=1 and energy −0.95 eV at the point $$\bar \Gamma $$ of the surface Brillouin zone. In the $$(10\bar 10)$$ surface, which has a wide band gap in the vicinity of the vacuum level, the calculated image state with n=1 at the point $$\bar \Gamma $$ has energy −1.2 eV and is a surface state of gap type. For the $$(11\bar 20)$$ face in the vicinity of the point $$\bar \Gamma $$ band gaps are absent. However, the symmetry of the bulk states near the vacuum level enables the existence of a resonance image state with n=1 and energy −0.6 eV.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Russian physics journal 34 (1991), S. 888-893 
    ISSN: 1573-9228
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The surface electronic band structure of the Pb (001) was calculated using the self-consistent, first-principles linear-augmented-plane-wave method and the norm-conserving pseudopotentiai method. In the nonrelativistic case, forbidden gaps appear above and below the Fermi levelin the bulk projected band structure of lead. An occupied surface state at the $$\overline M $$ point and two surface states in a wide forbidden gap above EF are found. A characteristic feature of the electronic structure of the Pb (001) surface is the absence of a surface state within the forbidden S-P gap in the vicinity of the $$\overline \Gamma $$ point. The inclusion of scalar-relativistic effects leads to the merger of several S-P gaps into one wide gap extending throughout the entire Brillouin zone. At the same time, the occupied state at point $$\overline M $$ extends to point $$\overline X $$ and its energy decreases by 2 eV. New, relatively weak surface states in the $$\overline {XM} $$ direction and unoccupied states in the vicinity of the $$\overline \Gamma $$ point appear. An unoccupied surface state is found at the bottom of the forbidden gap at point $$\overline M $$ . Including the contribution of the spinorbit pseudopotentiai leads to the appearance of two-spin orbit gas; however, the surface level structure is practically unchanged (except for the disappearance of the unoccupied surface state of Pz-symmetry at point $$\overline M $$ ).
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Russian physics journal 27 (1984), S. 762-767 
    ISSN: 1573-9228
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The local density function approximation is used to construct a fundamental nonlocally soft pseudopotential for aluminum which satisfies the norm conservation condition. This pseudopotential is used to perform a self-consistent calculation of the aluminum electron energy spectrum, which proves to agree well with experimental data. The effect of various pseudopotentials (constructed with norm conservation) on the form of the energy spectrum is studied. It is shown that these various pseudopotentials lead to identical results.
    Type of Medium: Electronic Resource
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