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121.
122.
Denis Machon Karen Friese Andrzej Grzechnik 《Journal of solid state chemistry》2010,183(11):2558-2564
Tl2MoO4 has been studied under high-pressure by X-ray diffraction, Raman spectroscopy, and optical absorption measurements. A first-order phase transition is observed at 3.5±0.5 GPa. The nature (ordered vs. disordered) of the high-pressure phase strongly depends on the local hydrostatic conditions. Optical absorption measurements tend to show that this transition is concomitant with an electronic structure transformation. Prior to the transition, single crystal X-ray diffraction shows that pressure induces interactions between MoO4 fragments and the Mo coordination number tends to increase. In addition, the stereoactivity of the lone-pair electrons on the three symmetrically independent Tl-sites is not uniform; while for two sites the stereoactivity decreases with increasing pressures for the third site the stereoactivity increases. 相似文献
123.
A new gadolinium fluoride borate Gd4B4O11F2 was yielded in a Walker-type multianvil apparatus at 7.5 GPa and 1100 °C. Gd4B4O11F2 crystallizes monoclinically in the space group C2/c with the lattice parameters a=1361.3(3) pm, b=464.2(2) pm, c=1374.1(3) pm, and β=91.32(3)° (Z=4). The crystal structure exhibits a structural motif not yet reported from borate chemistry: two BO4-tetrahedra (□) and two BO3-groups (?) are connected via common corners, leading to the fundamental building block 2?2□:?□□?. In the two crystallographically identical BO4-tetrahedra, a distortion resulting in a very long B-O-bond is found. 相似文献
124.
V.V. Mesilov V.R. Galakhov B.A. Gizhevskii N.I. Lobachevskaya M. Raekers C. Taubitz A.R. Cioroianu M. Neumann 《Journal of Electron Spectroscopy and Related Phenomena》2012
Nanostructured samples of yttrium iron garnet Y3Fe5O12 obtained by plastic deformation method (high-pressure torsion) were studied with help of soft X-ray absorption spectroscopy using Fe 2p and O 1s spectra. Experimental spectra were compared with crystal field multiplet calculations for Fe ions. Some amount of Fe2+ ions in nanostructured Y3Fe5O12 was found. The concentration of Fe2+ ions was found to be increased with the increase of the degree of plastic deformation. 相似文献
125.
126.
In this work we investigate the vibrational properties of anhydrous and hydrated yttrium molybdate as a function of hydrostatic pressure. An analysis of vibrational modes suggests that the anhydrous material experiences a phase transformation from orthorhombic to a lower symmetry phase (probably monoclinic) about 0.3 GPa, and to a highly disordered phase above 2.4 GPa. The structural transformation to the high-pressure disordered phase is not reversible and suggests the onset of a pressure-induced amorphization process. The vibrational mode dependence on pressure is discussed considering lattice dynamics calculations. 相似文献
127.
Recent high-pressure X-ray diffraction studies of alkali metals revealed unusual complex structures that follow the body-centred and face-centred cubic structures on compression. The structural sequence of potassium under compression to 1 Mbar is as follows: bcc–fcc–h-g (tI19*), hP4–oP8–tI4–oC16.We consider configurations of Brillouin-Jones zones and the Fermi surface within a nearly-free-electron model in order to analyze the importance of these configurations for the crystal structure stability. Formation of Brillouin zone planes close to the Fermi surface is related to opening an energy gap at these planes and reduction of crystal energy. Under pressure, this mechanism becomes more important leading to appearance of complex low-symmetry structures. The stability of the post-fcc phases in K is attributed to the changes in the valence electron configuration under strong compression. 相似文献
128.
Raman spectra of d-threonine crystal were recorded for pressures up to 8.5 GPa. Modifications in the lattice modes indicate that the crystal undergoes two structural phase transitions, the first in the 1.9–2.4 GPa pressure range and the second in the 5.1–6.0 GPa pressure range. Splitting of modes and changes in the intensity of several bands suggest a conformational reorientation of the molecule in the crystal framework between 3.5 and 4.3 GPa. We discussed ours results by comparing with previous high-pressure investigation on l-conformer. 相似文献
129.
C.E.M. Campos J.C. de Lima K.D. Machado A. Polian 《Journal of solid state chemistry》2005,178(1):93-99
Extended X-ray Absorption Fine Structure and Raman studies were performed to follow the structural and vibrational behavior of a mechanical alloyed Ni25Se75 mixture, containing nanocrystalline pyrite NiSe2 phase, when exposed to high-pressure conditions. An increase in the local structural order of the nanocrystalline phase with pressure increasing was observed by means of Debye-Waller factor analysis. The relative Ni nearest-neighbors distances were determined as a function of pressure, which were used to determine the inverse linear compressibility of the nanocrystalline pyrite NiSe2 alloy as well as its derivate by means of Murnaghan's equation. The Raman results showed tentative NiSe2 phonons dispersion with pressure that becomes a difficult task since the existence/photo-induced nucleation of an important amount of nanocrystalline Se, detected due to the observation of its pressure-induced phase transitions. 相似文献
130.
X. L. Yu S. L. Ban 《The European Physical Journal B - Condensed Matter and Complex Systems》2006,52(4):483-491
The Larsen perturbation method is adopted to study the
influence of magnetic fields on polarons in realistic heterojunctions in a
quasi-two-dimension approximation. The interaction between an electron and
both the bulk longitudinal optical phonons and the two branches of interface
optical phonons is taken into account to show the influence of magnetic
fields at different ranges on the polaron cyclotron mass due to the coupling
of the electron with each branch of phonon modes. The result indicates that
not only do the bulk phonons influence the polaron cyclotron mass, but the
interface phonons do as well. The pressure effect on the cyclotron mass is
also discussed. 相似文献