Ferroelectric phase transition in Cs3Bi2I9

Single crystals of Cs₃Bi₂I₉ have been grown. Polarized-optical, dielectric, and calorimetric studies have been performed, along with measurements of birefringence, and the coefficients of elasticity c ₄₄, and linear expansion a over a wide temperature range. It is found that an intrinsic (pseudo-intrinsic) second-order phase transition to the ferroelastic phase takes place at T ₀=220.0±0.6 K accompanied by a change of the crystal symmetry from 6/mmc to 2/m. The transition parameter depends linearly on the shear strain x ₅ and varies with temperature according to a power law with exponent β=0.5. Zh. éksp. Teor. Fiz. 39, 1850–1852 (October 1997)     

Structural phase transitions in the Cs3Sb2I9 crystal

A sequence of two phase transitions at 85.3±0.6 K and 72.6±0.4 K is observed in hexagonal Cs₃Sb₂I₉. The NQR spectra of ¹²⁷I are analyzed, optical polarization studies are made, and the thermal properties, linear expansion coefficients, and stiffness constants are measured over a broad range of temperatures below room temperature. Fiz. Tverd. Tela (St. Petersburg) 39, 946–948 (May 1997)     

Low-Temperature Phase Transitions in the Trigonal Modification of Cs 3 Bi 2 Br 9 and Cs 3 Sb 2 I 9

The trigonal (P-3 m1) modification of Cs 3 Bi 2 Br 9 and Cs 3 Sb 2 I 9 have been studied using NQR, X-ray single crystal and powder pattern methods. Moreover, the heat capacity was measured in a wide temperature interval: 4-300 K. In Cs 3 Bi 2 Br 9 a second-order phase transition was found at T C = 96 K. The low-temperature phase is monoclinic (C12/c1), with the unit cell doubled along the [001] direction. Cs 3 Sb 2 I 9 has a sequence of phase transitions at T C = 85 K, T i = 78 K and T L = 72.1 K. The monoclinic structure below 85 K is isomorphic with the low-temperature structure of Cs 3 Bi 2 Br 9 . According to calorimetric data the lock-in transition at 72.1 K is discontinuous.     

新型层状Bi2Se3的第一性原理研究

近年来,在石墨烯研究热潮的推动下,众多种类丰富、性能各异的二维化合物材料相继被发现,其中一些二维材料具有多种同素异构体,进而呈现出更丰富的性质.层状Bi2Se3由于其独特的物理性质,受到人们广泛的关注,而它的同素异构体尚未有人研究.本文采用基于密度泛函理论的结构搜索方法,预测了一个稳定的b-Bi2Se3新相,它具有良好...     

Raman and IR spectra of the cation‐deficient Aurivillius layered crystal Bi2W2O9

Raman and IR spectra of Bi₂W₂O₉, the m = 2 member of the cation‐deficient Aurivillius phase, have been measured. The obtained spectra are discussed using the factor group approach for the orthorhombic Pna2₁(C_2v⁹) space group. The results are compared with those obtained for Bi₂WO₆ and some m = 2 members of Aurivillius family of bismuth layered ferroelectrics. Copyright © 2009 John Wiley & Sons, Ltd.     

Ordering and excitations in the field-induced magnetic phase of Cs3Cr2Br9

Field-induced magnetic order has been investigated in detail in the interacting spin 3/2 dimer system Cs3Cr2Br9. Elastic and inelastic neutron scattering measurements were performed up to H=6 T, well above the critical field H(c1) approximately 1.5 T. The ordering displays incommensurabilities and a large hysteresis before a commensurate structure is reached. This structure is fully determined. Surprisingly, the lowest excitation branch never closes. Above H(c1), the gap increases slowly with the field. An analysis in terms of projected pseudospins is given.     

Stability,electronic structure,and optical properties of lead-free perovskite monolayer Cs3B2X9(B=Sb,Bi;X=Cl,Br,I)and bilayer vertical heterostructure Cs3B2X9/Cs3B’2X9(B,B’=Sb,Bi;X=Cl,Br,I)

The lead-free perovskites Cs₃B₂X₉(B=Sb,Bi;X=Cl,Br,I)as the popular photoelectric materials have excellent optical properties with lower toxicity.In this study,we systematically investigate the stable monolayer Cs₃B₂X₉and bilayer vertical heterostructure Cs₃B₂X₉/Cs3B02X9(B,B0=Sb,Bi;X=Cl,Br,I)via first-principles simulations.By exploring the electrical structures and band edge positions,we find the band gap reduction and the band type transition in the heterostructure Cs₃B₂X₉/Cs3B02X9 due to the charge transfer between layers.Furthermore,the results of optical properties reveal light absorption from the visible light to UV region,especially monolayer Cs3Sb2I9 and heterostructure Cs3Sb2I9/Cs3Bi2I9,which have absorption peaks in the visible light region,leading to the possibility of photocatalytic water splitting.These results provide insights for more two-dimensional semiconductors applied in the optoelectronic and photocatalytic fields.     

The magnetic transition in Fe-substituted hexagonal β-Al9SiMn3 phase

Recently we have studies β-Al₉Si(Mn_1?x Fe _x )₃ using Mössbauer effect spectroscopy withx=0.28 and discovered a new transition at about 80 K. Neutron diffraction studies down to low temperatures reveal no structural changes, so that this transition at 80 K is indeed of magnetic origin. The magnetic susceptibility shows a small maximum near this temperature superimposed on a large Curie-like background. In addition to this transition, the Curie-like background shows a cusp near 4 K. We thus infer a magnetic double transition in this disordered alloy. These magnetic transitions have been followed to lower Fe concentrations (x=0.10 and 0.20) by both Mössbauer spectroscopy (T _c ) and by magnetic susceptibility (T _g). It is found thatT _C decreases rapidly with decreasing Fe concentration, whileT _g remains relatively constant. The saturation hyperfine fieldB _hf(0) decreases rapidly with decreasingx, indicating that the Fe atoms loose their magnetic moments in the limit of infinite dilution, and the important role played by Fe?Fe nearest neighbors in determining the magnetic properties.     

Incommensurate charge order phase in Fe2OBO3 due to geometrical frustration

The temperature dependence of charge order in Fe2OBO3 was investigated by resistivity and differential scanning calorimetry measurements, M?ssbauer spectroscopy, and synchrotron x-ray scattering, revealing an intermediate phase between room temperature and 340 K, characterized by coexisting mobile and immobile carriers, and by incommensurate superstructure modulations with temperature-dependent propagation vector (1/2, 0, tau). The incommensurate modulations arise from specific antiphase boundaries with low energy cost due to geometrical charge frustration.     

High-pressure phase transition of Bi2Fe4O9

The high-pressure behaviour of Bi2Fe4O9 was analysed by in situ powder and single-crystal x-ray diffraction and Raman spectroscopy. Pressures up to 34.3(8) GPa were generated using the diamond anvil cell technique. A reversible phase transition is observed at approximately 6.89(6) GPa and the high-pressure structure is stable up to 26.3(1) GPa. At higher pressures the onset of amorphization is observed. The crystal structures were refined from single-crystal data at ambient pressure and pressures of 4.49(2), 6.46(2), 7.26(2) and 9.4(1) GPa. The high-pressure structure is isotypic to the high-pressure structure of Bi2Ga4O9. The lower phase transition pressure of Bi2Fe4O9 with respect to that of Bi2Ga4O9 (16 GPa) confirms the previously proposed strong influence of cation substitution on the high-pressure stability and the misfit of Ga3+ and Fe3+ in tetrahedral coordination at high pressure. A fit of a second-order Birch–Murnaghan equation of state to the p–V data results in K0 = 74(3) GPa for the low-pressure phase and K0 = 79(2) GPa for the high-pressure phase. The mode Grüneisen parameters were obtained from Raman-spectroscopic measurements.     

Giant thermodynamical optical effect near ferroelastic phase transition point in Cs3Bi2I9 layered crystal

For the first time we have found a new giant thermodynamical optical effect near the ferroelastic phase transition point in Cs₃Bi₂I₉ layered crystal. The effect is appeared as periodical oscillations in time of the reflection coefficient. This phenomenon is caused by the small temperature deviations in thermodynamical system the appearance of which in the reflection spectra is strongly amplified in the ferroelastic phase transition point. The optical oscillations are explained on the base of a model that takes into account the temperature dependence of the refractive index through the order parameter (spontaneous strain) of the crystal.     

Electron paramagnetic resonance spectroscopy of Cr 3+ in hexagonal Cs 2 NaGaF 6 crystals

Powder samples of hydrothermally grown Cr 3+ -doped Cs 2 NaGaF 6 crystals have been investigated with electron paramagnetic resonance spectroscopy at X - (9.5 v GHz) and Q -band (34 v GHz). Analysis of the spectra clearly demonstrates that there are two distinct Cr 3+ centres in the Cs 2 NaGaF 6 crystal, having nearly identical g factors, but differing largely from the viewpoint of their zero field splitting. By using the 53 Cr hyperfine spectra observed with electron nuclear double resonance spectroscopy, it is deduced that these centres have opposite signs for the zero field splitting. The spectroscopic properties of the Cr 3+ centres in the isostructural Cs 2 NaGaF 6 and Cs 2 NaAlF 6 crystals are compared and discussed.     

2D and 3D electrically switchable hexagonal photonic crystal in the ultraviolet range

Two holographic lithography systems are demonstrated for easy and large-area fabrication of 2D and 3D photonic crystal (PhC) microstructures in a polymer dispersed liquid crystal (PDLC) by applying a single top-cut hexagon prism. A six-beam system has been used to produce 2D hexagonal PhCs. By adding an additional mirror, a twelve-beam system is demonstrated to fabricate 3D PhCs with ultraviolet (UV) band-gap along the z direction. A good agreement is obtained for measured PhCs structure and theoretical results. Far-field diffraction patterns and electrical switching characteristics of the 2D and 3D PhC HPDLC films have been investigated. PACS 42.15.Eq; 42.40.Eq     

Tunable two-dimensional hexagonal phase array in domain-engineered Z-cut lithium niobate crystal

An optical phase array with tunable phase step is demonstrated. The phase array consists of a two-dimensional hexagonal lattice of inverted ferroelectric domains fabricated on a Z-cut lithium niobate substrate. The electro-optically tunable phase step is obtained by the application of an external electric field along the z axis of the crystal via transparent electrodes. Theoretical analysis and experimental results are presented, showing that a tunable and flexible adaptive optical illuminator device can be realized by combining the electro-optic tunability with the Talbot effect. Generation of a multiplicity of light patterns is shown.