1.3k citations · 1.4k across the 4 of their papers we have counts for
4 papers
Absence of Metastable States in Strained Monatomic Cubic Crystals
Michael J. Mehl, Aaron Aguayo, Larry L. Boyer +1
A tetragonal (Bain path) distortion of a metal with an fcc (bcc) ground state will initially cause an increase in energy, but at some point along the Bain path the energy will agai…
Superconductivity of metallic boron in MgB_2
J. Kortus, I. I. Mazin, K. D. Belashchenko +2
Boron in MgB_2 forms layers of honeycomb lattices with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Ferm…
Ab Initio Calculation of Spin Gap Behavior in CaV4O9
C. Stephen Hellberg, W. E. Pickett, L. L. Boyer +2
Second neighbor dominated exchange coupling in CaV4O9 has been obtained from ab initio density functional (DF) calculations. A DF-based self-consistent atomic deformation model rev…
Development of a Kohn-Sham like potential in the Self-Consistent Atomic Deformation Model
M. J. Mehl, L. L. Boyer, H. T. Stokes
This is a brief description of how to derive the local ``atomic'' potentials from the Self-Consistent Atomic Deformation (SCAD) model density function. Particular attention is paid…