1 citations · 2 across the 5 of their papers we have counts for
7 papers
Density-functional study of adsorption of isocyanides on the gold (111) surface
Yulia Gilman, Philip B. Allen, Mark S. Hybertsen
Density functional theory within the generalized-gradient approximation is used to study the adsorption of the isocyanides CNH and CNCH3 on the gold (111) surface at several covera…
Evolution of Electronic and Vibrational Polarity of NaF Nanocrystals from Diatomic to Bulk: A Density Functional Study
Christian Schmidt, Philip B. Allen, Tunna Baruah +1
Density functional theory (DFT) is used to study vibrations, electrical dipole moments, and polarizabilities of NaF clusters. Because of prior experimental and theoretical studies,…
Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules
Mark R. Pederson, Tunna Baruah, Philip B. Allen +1
We develop a direct derivation for the primary contribution to the vibrational polarizability for molecules, clusters and other finite systems. The vibrational polarizability is th…
Dipole Interactions In Nanosystems
Philip B. Allen
The dipole-dipole interaction influences nanoscopic matter by fixing the patterns of permanent, displacive, and induced dipole moments, subject to constraints of molecular size and…
Character of Atomic Vibrations in a Lennard-Jones Glass
Philip B. Allen, W. Garber, L. Angelani
Lennard-Jones glasses (made on a computer by quenching from liquid state coordinates) are studied in harmonic approximation. Vibrational eigenfrequencies and eigenvectors are found…
Optical studies of charge dynamics in c-axis oriented superconducting MgB2 films
J. J. Tu, G. L. Carr, V. Perebeinos +7
Temperature dependent optical conductivities and DC resistivity of c-axis oriented superconducting (Tc = 39.6 K) MgB2 films (~ 450 nm) have been measured. The normal state ab-plane…