The multiferroic BiFeO3 crystals were studied under high pressures up to 70 GPa created in diamond anvil cells. Electronic, magnetic and structural transformations were found in the region 40-55 GPa. Electronic transition with high-spin (HS) to low-spin (LS) crossover at the Fe3+ ion, suppression of magnetism and metallization were carefully investigated and documented. All transitions are completely reversible. The proposed theoretical consideration explains some details of the high-pressure magnetic, optical and electronic properties.

The multiferroic BiFeO3 crystals were studied under high pressures up to 70 GPa created in diamond anvil cells. Electronic, magnetic and structural transformations were found in the region 40-55 GPa. Electronic transition with high-spin (HS) to low-spin (LS) crossover at the Fe3+ ion, suppression of magnetism and metallization were carefully investigated and documented. All transitions are completely reversible. The proposed theoretical consideration explains some details of the high-pressure magnetic, optical and electronic properties.

Nuclear resonant inelastic x-ray scattering spectra were measured for (57)Fe in disordered body-centered-cubic alloys of Fe-Cr. Partial phonon density of states (DOS) curves were obtained from these data. These results, in conjunction with the results of Ruckert [Hyperfine Interact. 126, 363 (2000)] on Fe-Cr thin-film multilayers and alloys, were analyzed with a local-order cluster expansion method. Interaction partial phonon DOS functions for the different short-range correlation functions were obtained from the disordered alloys. These interaction DOS functions were used in reconstructing the (57)Fe partial DOS curves measured by Ruckert on a set of thin-film multilayer samples of (57)Fe/(56)Fe/Cr. The method worked well using terms up to a combined first- and second-nearest-neighbor triangle cluster, which were obtained reliably from the disordered alloys. The limitations of a basis set of correlation functions from disordered alloys are discussed but shown to be acceptable for the chemical trends of phonons in the Fe-Cr system.

Nuclear resonant inelastic x-ray scattering spectra were measured for (57)Fe in disordered body-centered-cubic alloys of Fe-Cr. Partial phonon density of states (DOS) curves were obtained from these data. These results, in conjunction with the results of Ruckert [Hyperfine Interact. 126, 363 (2000)] on Fe-Cr thin-film multilayers and alloys, were analyzed with a local-order cluster expansion method. Interaction partial phonon DOS functions for the different short-range correlation functions were obtained from the disordered alloys. These interaction DOS functions were used in reconstructing the (57)Fe partial DOS curves measured by Ruckert on a set of thin-film multilayer samples of (57)Fe/(56)Fe/Cr. The method worked well using terms up to a combined first- and second-nearest-neighbor triangle cluster, which were obtained reliably from the disordered alloys. The limitations of a basis set of correlation functions from disordered alloys are discussed but shown to be acceptable for the chemical trends of phonons in the Fe-Cr system.

X-ray Raman scattering experiments were performed on C-60 fullerenes and multi-wall carbon nanotubes (MWCNT) up to 20 GPa and 25 GPa using a diamond anvil cell and synchrotron radiation at HPCAT, Advanced Photon Source. The intensity of the near edge peaks representing sp(2) hybridization (pi*) decreases with increasing pressure in both materials. Around 13 GPa the X-ray Raman spectra of C-60 completely transformed to sp(3) type bonding leading to diamond-like phase. Similar features have been observed in MWCNT at 16 GPa indicating the formation of strong interlayer covalent bonds. Our experiments are in excellent agreement with recent theoretical simulations reported on the mechanical behaviour of compressed nanotubes and provide direct experimental evidence for bond switching of these carbonaceous systems at high pressures. (c) 2006 Elsevier B.V. All rights reserved.

X-ray Raman scattering experiments were performed on C-60 fullerenes and multi-wall carbon nanotubes (MWCNT) up to 20 GPa and 25 GPa using a diamond anvil cell and synchrotron radiation at HPCAT, Advanced Photon Source. The intensity of the near edge peaks representing sp(2) hybridization (pi*) decreases with increasing pressure in both materials. Around 13 GPa the X-ray Raman spectra of C-60 completely transformed to sp(3) type bonding leading to diamond-like phase. Similar features have been observed in MWCNT at 16 GPa indicating the formation of strong interlayer covalent bonds. Our experiments are in excellent agreement with recent theoretical simulations reported on the mechanical behaviour of compressed nanotubes and provide direct experimental evidence for bond switching of these carbonaceous systems at high pressures. (c) 2006 Elsevier B.V. All rights reserved.

Single wall carbon nanotubes (SWCNT) were ball milled with Ti and TiH2. Samples collected at different milling times were characterized by X-ray diffraction, scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and X-ray Raman spectroscopy (XRS). While the intensity of the pi* excitonic transition of the Ti+SWCNT samples remains unchanged with milling time, a doublet feature observed around 285.4 eV in the X-ray Raman spectra of the 5 h milled sample shows increasing hybridization of the Ti states with the nanotubes above the Fermi level. On the other hand, in addition to a double peak nature, the XRS spectra of TiH2+SWCNT samples show a decrease in the pi* intensity which provides clear evidence for increasing sp(3) hybridization with milling time. (c) 2007 Elsevier B.V. All rights reserved.

Single wall carbon nanotubes (SWCNT) were ball milled with Ti and TiH2. Samples collected at different milling times were characterized by X-ray diffraction, scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and X-ray Raman spectroscopy (XRS). While the intensity of the pi* excitonic transition of the Ti+SWCNT samples remains unchanged with milling time, a doublet feature observed around 285.4 eV in the X-ray Raman spectra of the 5 h milled sample shows increasing hybridization of the Ti states with the nanotubes above the Fermi level. On the other hand, in addition to a double peak nature, the XRS spectra of TiH2+SWCNT samples show a decrease in the pi* intensity which provides clear evidence for increasing sp(3) hybridization with milling time. (c) 2007 Elsevier B.V. All rights reserved.

We have used X-ray Raman spectroscopy (XRS) to study benzene up to similar to 20 GPa in a diamond anvil cell at ambient temperature. The experiments were performed at the High-Pressure Collaborative Access Team's 16 ID-D undulator beamline at the Advanced Photon Source. Scanned monochromatic X-rays near 10 keV were used to probe the carbon X-ray edge near 284 eV via inelastic scattering. The diamond cell axis was oriented perpendicular to the X-ray beam axis to prevent carbon signal contamination from the diamonds. Beryllium gaskets confined the sample because of their high transmission throughput in this geometry. Spectral alterations with pressure indicate bonding changes that occur with pressure because of phase changes (liquid: phase 1, 11, 111, and III') and possibly due to changes in the hybridization of the bonds. Changes in the XRS spectra were especially evident in the data taken when the sample was in phase III', which may be related to a rate process observed in earlier shock wave studies.

We report measurements of the atomic form factor of lithium, beryllium, and aluminum single crystals at low-momentum transfers (Q=1.6-50 nm(-1)) from the intensity of phonons observed by inelastic x-ray scattering. Comparing to Hartree-Fock calculations, the form factor deviates significantly in the case of lithium and beryllium around k(F). These deviations can be mostly understood on the basis of electron redistribution by a pseudopotential. The influence of multiple scattering due to coherent phonon scattering and possible deviations from the adiabatic approximation are also discussed.