Biomedical subjects

K Stokbro

Publications and source records attributed to K Stokbro.

8 recordsLinked to original sources

PubMed2002

Current-voltage curves of atomic-sized transition metal contacts: an explanation of why Au is Ohmic and Pt is not.

We present an experimental study of current-voltage (I-V) curves on atomic-sized Au and Pt contacts formed under cryogenic vacuum (4.2 K). Whereas I-V curves for Au are almost Ohmic, the conductance G=I/V for Pt decreases with increasing voltage, resulting in distinct nonlinear I-V behavior. The experimental results are compared with first principles density functional theory calculations for Au and Pt, and good agreement is found. The difference in conductance properties for Pt vs Au can be explained by the underlying electron valence structure: Pt has an open d shell while Au has not.

Journal Article↗

PubMed2001

Hole trapping at Al impurities in silica: a challenge for density functional theories.

The atomic geometry and electronic structure around a neutral substitutional Al impurity in silica is investigated using either the unrestricted Hartree-Fock (UHF) approximation, or Beckes three-parameter hybrid functional (B3LYP). It is found that the B3LYP functional fails to describe the structural distortions around the Al impurity, while the UHF results are consistent with experimental information. We argue that the failure of the B3LYP functional is caused by the incomplete self-interaction cancellation usually present in density functional theories.

Journal Article↗

PubMed2000

Electronic mechanism of STM-induced diffusion of hydrogen on Si(100).

We have observed a scanning tunneling microscopy (STM) induced lateral transfer of a single hydrogen atom on the Si(100) surface. The transfer rate of the hydrogen atom is proportional to the electron dose, indicating an electron-assisted transfer mechanism. Measurements of the relations between the transfer rate and the sample bias and temperature give further support for an electronic mechanism. The bias dependence of the transfer rate shows a peak, and from a first principles electronic structure calculation we show that the position of the peak is related to the energy of a localized surface resonance. We propose that the hydrogen transfer is related to inelastic hole scattering with this surface resonance. We develop a microscopic model for the hydrogen transfer, and using the experimental data we extract information on the resonance lifetime and the transfer yield per resonant electron. The transfer takes place by tunneling through a small excited state transfer barrier. The transfer rate is increased if the hydrogen atom before the resonant excitation is vibrationally excited, and this gives rise to an increasing transfer rate with increasing sample temperature.

Journal Article↗

PubMed1996