High pressure Raman studies on solid iodine

Abstract

Raman spectra of solid iodine were measured up to 27 GPa. Additional bands, whch appear above 10 GPa, are discussed with respect to a quasi one dimensional molecular phase existing at intermediate pressures and may indicate a more subtle way of molecular dissociation than previously suggested. Higher order spectra due to two-and three phonon processes involving internal and external modes were observed up to 10 GPa.     

A high pressure Raman study of KTP and pressure induced phase transitions

Potassium titanate orthrophosphate KTiOPO₄ (KTP) has been studied by high pressure Raman technique to 17 GPa using a diamond cell. The Raman data reveal that two phase transitions occur in the system: one near 5.5 GPa and another near 10 GPa. The Lower-pressure transition is definitely first-order but appears to be driven by the phonon mode near 56 cm⁻¹, which exhibits marked softening. A mean field-like behavior is observed. It is hypothesized that this transition is likely to be from ferroelectric (FE) to an antiferroelectric (AF) phase. The 10 GPa transition may be due to AF-PE (paraelectric) transition driven by pressure from high temperature to room temperature. From the larger pressure responce of the PO₄ vibrational modes it is believed that the PO₄ polyhedral compression is larger than the TiO₆ polyhedral compression. leading to polyhedral tilt transitions.     

High pressure photoluminescence and resonant Raman study of GaAs

Photoluminescence and resonant Raman scattering have been studied in GaAs under hydrostatic stress up to 72 kbar. From the pressure dependence of the photoluminescence intensity the pressure coefficient of the X₆ conduction band minimum in GaAs has been determined. The pressure dependence of zone edge phonon energies in GaAs is also reported.     

单壁碳纳米管的高压拉曼研究

采用金刚石对顶砧装置对直径分布在1.3 nm左右的单壁碳纳米管进行了高压拉曼光谱研究.实验结果表明随压力的增加碳管的截面形状发生了由圆到椭圆再到扁平的变化,这和我们之前的研究结果一致.从31 GPa卸压至常压后碳管的结构得到了较好的保持,这个压力值明显高于传统的Sp2键结构的碳材料所能稳定存在的压力范围(20 GPa以...     

Martensitic phase transition due to soft phonon mode in β′ phase alloys

The soft phonon modes relating to the martensitic phase transition in the β′ alloys are analysed by group- theoretical methods. The characteristic of the transition in the O⁵_h type β′ alloy are different from that of the O¹_h type one.     

Theoretical study of the magnetism in the incommensurate phase of TiOCl

Going beyond a recently proposed microscopic model [D. Mastrogiuseppe, A. Dobry, arXiv:0810.3018v1] for the incommensurate transition in the spin-Peierls TiOX (X=Cl, Br) compounds, in the present work we start by studying the thermodynamics of the model with XY spins and adiabatic phonons. We find that the system enters an incommensurate phase by a first order transition at a low temperature T_c1. At a higher temperature T_c2 a continuous transition to a uniform phase is found. Furthermore, we study the magnetism in the incommensurate phase by density matrix renormalization group (DMRG) calculations on a one-dimensional Heisenberg model where the exchange is modulated by the incommensurate atomic position pattern. When the wave vector q of the modulation is near π, we find local magnetized zones (LMZ) in which spins abandon their singlets as a result of the domain walls induced by the modulated distortion. When q moves far away enough from π, the LMZ disappear and the system develops incommensurate magnetic correlations induced by the structure. We discuss the relevance of this result regarding previous and future experiments in TiOCl.     

Raman phonon spectra and lattice dynamics of 9,10-dinitroanthracene under pressure

Abstract

Raman phonon spectra of 9, 10-dinitroanthracene have been recorded in the pressure range 0-6GPa. No phase transition is detected up to the maximum pressure studied. Quasi Harmonic Lattice Dynamics calculations, based on an atom-atom potential previously modeled on homologous 9,10-disubstituted anthracenes, have been performed. The optimized potential was used to calculate the equilibrium geometry and the lattice phonon frequencies as a function of pressure. The calculated structure at ambient conditions closely resembles the experimental one. The calculated phonon frequencies show a good agreement with the experimental values at all pressures measured.     

Deviations from soft mode behaviour in the Raman spectrum of incommensurate BaMnF4

New measurements of the Raman spectrum of incommensurate BaMnF₄ reveal that there is not a classically ‘soft’ amplitude mode as has hitherto been assumed. This finding questions the validity of predictions based on straightforward Landau theory.     

New phase transition of solid bromine under high pressure

Solid bromine has been studied by x-ray absorption spectroscopy experiments up to a maximum pressure of 75 GPa. The data analysis of the extended fine structure reveals that the intramolecular distance first increases, reaching its maximum value at 25+/-5 GPa. From this value the intramolecular distance abruptly begins to decrease evidencing a nonpreviously observed phase transformation taking place at 25+/-5 GPa. A maximum variation of 0.08 A is observed at 65+/-5 GPa where again a phase transition occurs. This last transformation could correspond with the recently observed change to an incommensurate modulated phase. We discuss the possible generalization of the observed new phase transition at 25+/-5 GPa to the case of the other halogens.     

Vibrational properties of RbNd(WO4)2: high pressure Raman study, structural and phonon calculations

RbNd(WO(4))(2) was investigated by high pressure Raman spectroscopy in the 0.1-12.3 GPa pressure interval. The assignment of modes was made based on lattice dynamics calculations and the results of these calculations helped us to also discuss the high pressure behavior of phonon spectra in this material. Our results show that a double oxygen bridge plays a fundamental role in the vibrational properties of this system. A density functional theory (DFT) calculation of hydrostatic pressure effects on RbNd(WO(4))(2) was performed in order to understand the effect of internal bond changes on the vibrational properties of RbNd(WO(4))(2). No pressure induced structural phase transition was observed in the Raman study at room temperature, and the DFT calculation (T = 0 K) is consistent with this result. The anomalous softening of the bridge stretching mode at 770 cm(-1) was attributed to the decrease of W-O1-W bond angle with increasing pressure.     

High pressure phase transition in metallic LaB6: Raman and X-ray diffraction studies

High pressure Raman and angle dispersive X-ray diffraction (ADXRD) measurements on the metallic hexaboride LaB₆ have been carried out upto the pressures of about 20 GPa. The subtle phase transition around 10 GPa indicated in Raman measurements is confirmed by ADXRD experiments to be a structural change from cubic to orthorhombic phase. Ab-initio electronic band structure calculations using full potential linear augmented plane wave method carried out as a function of pressure show that this transition is driven by the interception of Fermi level by electronic band minimum around the transition pressure.     

Energy gap in the phonon spectrum of incommensurate lattices: The role of Coulomb forces

We have examined the role of long-range Coulomb forces in the phonon spectrum of a system of two ionic, interpenetrating sublattices. We find that the Coulomb forces create a gap in the sliding mode in the case of incommensurate sublattices while they enlarge the existing gap in the case of commensurate sublattices. The dielectric properties of a system of incommensurate lattices are also examined. Connection with experiment is discussed.     

High pressure study of phase transitions inα-FePO4

High pressure behaviour of FePO₄ in berlinite form has been investigated up to 10 GPa using vibrational Raman spectroscopy and energy dispersive x-ray diffraction. Combination of these techniques along with studies on pressure quenched samples reveal structural transitions in this material from its room pressure trigonal phase to a disordered and a crystalline phase near 3±0.5 GPa. The latter is the Cmcm phase which is the equilibrium structure at high pressures. These high pressure phases do not revert back to its initial structure after release of pressure. Irreversibility of these transformations indicates that FeO₄ tetrahedra do not regain their initial coordination. These high pressure transitions can be rationalized in terms of the three level free energy diagram for such systems.     

Resonant Raman study of LO + acoustic phonon modes in CdSe

In studying resonant Raman scattering in the vicinity of the A and B excitons of CdSe, we have observed three new Raman peaks. Two of the peaks have been identified as two-phonon modes consisting of a longitudinal optical (LO) phonon plus respectively a transverse acoustic (TA) and a longitudinal acoustic (LA) phonon. A theory which involves the scattering of photoexcited B excitons to the A exciton by acoustic phonons via the piezoelectric exciton-phonon interaction was found to explain quantitatively the peak positions, lineshape and resonance enhancements of the observed peaks.     

In2（MoO4)3晶体的高压拉曼振动研究

钼酸铟(In2(MoO4)3)由于其独特的负热膨胀性质,已被广泛应用于燃料电池、光学器件、激光材料等方面. 为了进一步探讨其晶体结构和物理性质,本工作在金刚石对顶砧上原位测量了In2(MoO4)3 的高压拉曼光谱,最高压力达到18 GPa. 在研究的压力范围内,本工作观察到了两次相变. 首先,In2(MoO4)3在压力为1.2 GPa 时, 发生了 由从P21/a相到低对称结构的相转变. 在压力为5.8 GPa 时, 样品又发生了从晶相到非晶相的第二次相转变. 卸压后样品仍为非晶相,说明In2(MoO4)3 在高压下的非晶相变为不可逆相变.      

On the satellite extinction in incommensurate phase

For ZnP₂ and CdP₂ crystals in incommensurate phase selective superstructure X-ray reflections are observed. As shown a phason and amplitudon excitation modes do not result in this selective extinction of satellites. Apparently, it is associated with a modulation wave form in the incommensurate phase. The X-ray spectrum peculiarity of incommensurate crystals is discussed taking into consideration systematic and selective extinction of satellites.