112 research outputs found
Slip Behavior and Hardness Indentations in MnSe and MnSe-MnS Solid Solutions
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/65510/1/j.1151-2916.1969.tb11957.x.pd
Correlation effects in the ground state charge density of Mott-insulating NiO: a comparison of ab-initio calculations and high-energy electron diffraction measurements
Accurate high-energy electron diffraction measurements of structure factors
of NiO have been carried out to investigate how strong correlations in the Ni
3d shell affect electron charge density in the interior area of nickel ions and
whether the new ab-initio approaches to the electronic structure of strongly
correlated metal oxides are in accord with experimental observations. The
generalized gradient approximation (GGA) and the local spin density
approximation corrected by the Hubbard U term (LSDA+U) are found to provide the
closest match to experimental measurements. The comparison of calculated and
observed electron charge densities shows that correlations in the Ni 3d shell
suppress covalent bonding between the oxygen and nickel sublattices.Comment: 6 pages, LaTeX and 5 figures in the postscript forma
Nuclear Inelastic X-Ray Scattering of FeO to 48 GPa
The partial density of vibrational states has been measured for Fe in
compressed FeO (w\"ustite) using nuclear resonant inelastic x-ray scattering.
Substantial changes have been observed in the overall shape of the density of
states close to the magnetic transiton around 20 GPa from the paramagnetic (low
pressure) to the antiferromagnetic (high pressure) state. Our data indicate a
substantial softening of the aggregate sound velocities far below the
transition, starting between 5 and 10 GPa. This is consistent with recent
radial x-ray diffraction measurements of the elastic constants in FeO. The
results indicate that strong magnetoelastic coupling in FeO is the driving
force behind the changes in the phonon spectrum of FeO.Comment: 4 pages, 4 figure
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