Ab initio bandstructure of lead

Zdetsis, Aristides D.; Economou, E. N.; Papaconstantopoulos, Dimitris A.

doi:10.1088/0305-4608/10/6/015

Cited by 16 publications

(9 citation statements)

References 25 publications

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“…Recall that the couplinḡ λ is evaluated at an energy ω D above the band bottom, not at the Fermi energy, hence we defineλ = λ √ ω D /E F . We fix the band mass to the free-electron value, as indicated by electronic structure calculations [51]. With this band mass, the linear coefficient of the electronic specific heat is k…”

Section: Application To Lead Thin Filmsmentioning

confidence: 99%

Rise and fall of shape resonances in thin films of BCS superconductors

2016

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The confinement of a superconductor in a thin film changes its Fermi-level density of states and is expected to change its critical temperature T c . Previous calculations have reported large discontinuities of T c when the chemical potential coincides with a subband edge. By solving the BCS gap equation exactly, we show that such discontinuities are artifacts and that T c is a continuous function of the film thickness. We also find that T c is reduced in thin films compared with the bulk if the confinement potential is lower than a critical value, while for stronger confinement T c increases with decreasing film thickness, reaches a maximum, and eventually drops to zero. Our numerical results are supported by several exact solutions. We finally interpret experimental data for ultrathin lead thin films in terms of a thickness-dependent effective mass.

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Section: Application To Lead Thin Filmsmentioning

confidence: 99%

Rise and fall of shape resonances in thin films of BCS superconductors

2016

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“…Similar to the case of the interband absorption 3, the initial band (K 3 ) for the interband absorption 4, due to the transition (K 3 )-(K 1 ) , is positioned at the bottom of the conduction bands at point K. 10,12,[17][18][19] We thus expect that the interband absorption 4 also disappears with decreasing particle size. However, this interband absorption is well defined down to a particle size of about 50 Å in diameter ͓Fig.…”

Section: The Interband Absorptionmentioning

confidence: 57%

“…In bulk Pb, conduction bands are 6p bands because the Fermi level intersects the 6p bands. 12,[17][18][19] The 6p bands do not hybridize with other bands such as the 6s and 5d bands, so that the conduction bands are narrow. For example, the width of the occupied conduction bands ͑i.e., the width from the bottom of the conduction bands to the Fermi level͒ is about 3.5-4.5 eV for bulk Pb ͑Refs.…”

Section: B Effects Of Surface Atomsmentioning

confidence: 99%

“…Ϫ is positioned at the bottom of the conduction bands at the point X, 10,12,[17][18][19] so that the disappearance of the interband absorption 3 results from the decrease in the DOS at the lower portion of the conduction bands. Thus, the disappearance of the interband absorption 3 agrees with the disappearance expected above ͑Sec.…”

Section: The Interband Absorptionmentioning

confidence: 99%

“…The final band (K 1 ) for the interband absorption 2, due to the transition (K 1 )-(K 1 ) , is the same as that for the interband absorption 4. 10,12,[17][18][19] This band is considered to be unaffected by particle size, as mentioned above. Thus, the shift and the weakening of the interband absorption 2 should correspond to the shift of the initial band and to the decrease in the DOS for the initial band, respectively.…”

Section: The Interband Absorptionmentioning

confidence: 99%

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Size-dependent change in interband absorption of Pb particles: Effects of surface atoms

Anno

Tanimoto

2002

Phys. Rev. B

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publisherInterband absorption of Pb-island films, consisting of Pb particles larger than about 50 A in diameter, has been measured in the photon energy range of 0.5-6.5 eV. The interband absorption located from 4.23±0.07 to 4.44±0.06 eV, the initial state for which is positioned at the bottom of the conduction bands, disappeared below about 300 A in diameter. The interband absorption located from 3.68±0.04 to 3.78±0.04 eV was shifted to higher energies with decreasing particle size below about 300 A in diameter, and became weaker with shift. The shift causes the initial state to be present in the lower portion of the conduction bands. The disappearance and the weakening are due to the decrease in the density of states (DOS) at the lower portion of the conduction bands. Such a decrease can be attributed to the effect of the reduced coordination number of surface atoms on the DOS of the conduction bands

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5.2 Literature survey of calculations and experiments

Cracknell¹

Electron States and Fermi Surfaces of Elements

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Ab initio bandstructure of lead

Cited by 16 publications

References 25 publications

Rise and fall of shape resonances in thin films of BCS superconductors

Rise and fall of shape resonances in thin films of BCS superconductors

Size-dependent change in interband absorption of Pb particles: Effects of surface atoms

5.2 Literature survey of calculations and experiments

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