Changes In The Fermi Surface At The Magnetization Reorientation Transition In Fe/Cu(100), Reginaldt H. Madjoe, Alexey N. Koveshnikov, Christopher Harwell, Randall W. Hall, Roger L. Stockbauer, Richard L. Lutz
Dec 1998
Changes In The Fermi Surface At The Magnetization Reorientation Transition In Fe/Cu(100), Reginaldt H. Madjoe, Alexey N. Koveshnikov, Christopher Harwell, Randall W. Hall, Roger L. Stockbauer, Richard L. Lutz
Randall W. Hall
We present a study of the evolution of the valence bandstructure of Fe/Cu(100) as a function of Fe coverage in the 0–12 monolayer range. Angle-resolved photoelectron spectroscopy was used to probe the valence electronic structure and to extract Fermi surface contours as a function of increasing Fe coverage. The first few monolayers show Fe-induced densities of states that are significantly different from those in thicker films. At 5 ML, distinct changes occur in the Fermi surface, where a magnetization reorientation transition has been observed previously.
Finite Temperature Effects In Na3+ And Na3: A Path Integral Monte Carlo Study, Randall W. Hall
Jul 1989
Finite Temperature Effects In Na3+ And Na3: A Path Integral Monte Carlo Study, Randall W. Hall
Randall W. Hall
Path integral Monte Carlo techniques are used to study Na3+ and Na3 at finite temperatures. In accord with previous classical trajectory calculations, we find that vibrational motion significantly distorts the clusters from the previously predicted zero temperature geometries, due to the flat Born-Oppenheimer potential energy surface. More importantly, these distorted clusters show significant localized electronic bonding, in contrast to the delocalized bonding found in previous studies of the zero temperature structures.
G. N. Lewis' Atom And Quantum Monte Carlo Studies Of Liquids, Randall W. Hall, Peter G. Wolynes
May 1986
G. N. Lewis' Atom And Quantum Monte Carlo Studies Of Liquids, Randall W. Hall, Peter G. Wolynes
Randall W. Hall
Liquids that involve changes in electronic structure are difficult to simulate using pairwise additive forces. In this paper we use a semiempirical model of the internal structure of atoms in order to simulate simultaneously electronic and nuclear dynamics of fluids. The proposed excitonic phase of mercury is critically examined with these models.
Behavior Of An Electron In Helium Gas, John Bartholomew, Randall W. Hall, Bruce J. Berne
Jun 1985
Behavior Of An Electron In Helium Gas, John Bartholomew, Randall W. Hall, Bruce J. Berne
Randall W. Hall
A quantum-mechanical electron in dense helium gas is examined by computer simulation using realistic, soft potentials. The behavior of the system is observed as the density is increased; there are indications that the electron (at least partially) localizes and forms a bubblelike state.