Growth, spectroscopic properties and laser output of Er : Ca 4YO(BO 3) 3 and Er : Yb : Ca 4YO(BO 3) 3 crystals

NASA Astrophysics Data System (ADS)

Zhang, Huaijin; Meng, Xianlin; Wang, Changqing; Wang, Pu; Zhu, Li; Liu, Xuesong; Dong, Chunming; Yang, Yuyong; Cheng, Ruiping; Dawes, Judith; Piper, Jim; Zhang, Shaojun; Sun, Lianke

2000-09-01

In this paper, Er : Ca 4YO(BO 3) 3 (Er : YCOB) and Er : Yb : Ca 4YO(BO 3) 3 (Er : Yb : YCOB) crystals with large size and excellent quality have been grown by the Czochralski method. The absorption and emission spectra of Er : YCOB and Er : Yb : YCOB crystals have been measured; the emission spectrum of Er : Yb : YCOB crystal shows that the strongest emission peak is located at 1537 nm. An output power of about 2 mW at the wavelength of 1553 nm has been obtained under the pumping power of a fiber-coupled laser diode (LD) of 1600 mW at 976 nm, using a Y direction cut 2.5 mm thick Er : Yb : YCOB crystal sample.

Crystal structures and magnetic properties of lanthanide containing borates LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doi, Yoshihiro, E-mail: doi@sci.hokudai.ac.jp; Satou, Tatsuya; Hinatsu, Yukio

2013-10-15

The synthesis, crystal structures and magnetic properties of LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr) were investigated. The LnCr(BO{sub 3}){sub 2} compounds crystallize in the dolomite-type structure with space group R3{sup ¯}, in which the Ln and Cr ions occupy two octahedral sites. From the result of structural analysis, it was found that there is an anti-site disorder between these two sites and its chemical formula is more exactly Ln{sub 1−r}Cr{sub r}[Cr{sub 1−r}Ln{sub r}](BO{sub 3}){sub 2}. On the other hand, the LnSc(BO{sub 3}){sub 2} adopt the calcite-type structure with space group R3{sup ¯}c. The Ln and Sc ions randomly occupymore » an octahedral site and the chemical formula is represented as (Ln{sub 0.5}Sc{sub 0.5})BO{sub 3}. From the magnetic susceptibility and specific heat measurements, we found that all the LnCr(BO{sub 3}){sub 2} show an antiferromagnetic transition at 6.1–8.1 K. This transition is mainly due to the ordering of Cr{sup 3+} magnetic moments. Among the compounds with magnetic Ln{sup 3+} ions, only YbCr(BO{sub 3}){sub 2} shows an antiferromagnetic ordering of Ln{sup 3+} ion at 2.1 K. - Graphical abstract: The lanthanide containing borates LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr) have the dolomite-type (Ln=Cr) and calcite-type (Ln=Sc) structures. Both structures are similar to each other except for the difference in the partially or fully disordered arrangements of octahedral sites. At low temperatures, the LnCr(BO{sub 3}){sub 2} compounds show an antiferromagnetic transition due to a long-range ordering of Cr{sup 3+} moments. Among them only YbCr(BO{sub 3}){sub 2} shows an antiferromagnetic ordering of Ln{sup 3+} ion at 2.1 K. Display Omitted - Highlights: • Lanthanide containing borates LnM(BO{sub 3}){sub 2} (Ln=Y, Ho–Lu; M=Sc, Cr) have been synthesized. • LnCr(BO{sub 3}){sub 2} has the dolomite-type structure with an anti-site disorder between Ln and Cr sites. • LnSc(BO{sub 3}){sub 2} has the calcite

Luminescence and Site Occupancy of Eu2+ in Ba2 Ca(BO3)2

NASA Astrophysics Data System (ADS)

Li, Pan-Lai; Wang, Zhi-Jun; Yang, Zhi-Ping; Guo, Qing-Lin

2011-01-01

A green phosphor Ba2Ca(BO3)2:Eu2+ was synthesized by a high temperature solid-state reaction method under a reductive atmosphere. The luminescence and site occupancy of Eu2+ in Ba2Ca(BO3)2 are investigated. Ba2Ca(BO3)2:Eu2+ shows one green band (537 nm) under 400 nm near ultraviolet excitation which is suitable for UV LED. Ca2+ and Ba2+ ions in Ba2Ca(BO3)2 are replaced by Eu2+ ions, the Ba2Ca(BO3)2:Eu2+ shows a dissymmetrical emission band. The influence of Eu2+ doping concentrations on the emission intensity of Ba2Ca(BO3)2:Eu2+ is studied. It is found that the emission intensity is influenced by the Eu2+ concentration and reaches the maximum value at 2% Eu2+. According to the Dexter theory, the concentration quenching mechanisms of Eu2+ in Ba2Ca(BO3)2 are the d-dinteraction.

Optical properties of Mn 2+ in KCaF 3 single crystal

NASA Astrophysics Data System (ADS)

Mazurak, Z.; Ratuszna, A.; Daniel, Ph.

1999-02-01

It is known that the spectroscopic properties of 3d impurities in crystals are very sensitive to the environment of the ion and can be changed considerably by using different matrices. The crystal structure of KCaF 3 has been previously determined by the Rietveld profile method. At room temperature, KCa 1- xMn xF 3 ( x<0.1) crystallizes in monoclinic C2 h ( B2 1/ m) symmetry. The local geometries around Mn 2+ in this crystals, in their ground and excited states, are the primary properties that govern the spectroscopic behavior of these systems, which enjoy of fundamental and technological interest. The present work reports the absorption and luminescence spectra of the Mn 2+-doped KCaF 3 (fluoroperovskite). The luminescence spectra recorded over a range of temperatures are dominated by wide bands, corresponding to the 4T 1(G)→ 6A 1(G), Mn 2+ transition. The lifetime ( τ= f( T)) of the first excited state 4T 1(G) was measured as a function of temperature. The lifetime of the Mn 2+ emission, in this crystal have been found to be temperature independent ( τ<7 μs). The absorption and emission spectra of Mn 2+ (3d 5) in KCaF 3 are analyzed using a C4 crystal-field hamiltonian. The calculated energy levels are in good agreement with those obtained experimentally. The resulting crystal-field parameters Bnm are a good representation of the crystal-field interactions of Mn 2+ in KCaF 3.

Synthesis and X-ray crystal structure of (OsO(3)F(2))(2)2XeOF(4) and the Raman spectra of (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4).

PubMed

Hughes, Michael J; Mercier, Hélène P A; Schrobilgen, Gary J

2009-05-18

The adduct, (OsO(3)F(2))(2)2XeOF(4), was synthesized by dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in XeOF(4) solvent at room temperature followed by removal of excess XeOF(4) under dynamic vacuum at 0 degrees C. Continued pumping at 0 degrees C resulted in removal of associated XeOF(4), yielding (OsO(3)F(2))(2), a new low-temperature phase of OsO(3)F(2). Upon standing at 25 degrees C for 1(1)/(2) h, (OsO(3)F(2))(2) underwent a phase transition to the known monoclinic phase, (OsO(3)F(2))(infinity). The title compounds, (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4) have been characterized by low-temperature (-150 degrees C) Raman spectroscopy. Crystallization of (OsO(3)F(2))(2)2XeOF(4) from XeOF(4) solution at 0 degrees C yielded crystals suitable for X-ray structure determination. The structural unit contains the (OsO(3)F(2))(2) dimer in which the OsO(3)F(3) units are joined by two Os---F---Os bridges having fluorine bridge atoms that are equidistant from the osmium centers (2.117(5) and 2.107(4) A). The dimer coordinates to two XeOF(4) molecules through Os-F...Xe bridges in which the Xe...F distances (2.757(5) A) are significantly less than the sum of the Xe and F van der Waals radii (3.63 A). The (OsO(3)F(2))(2) dimer has C(i) symmetry in which each pseudo-octahedral OsO(3)F(3) unit has a facial arrangement of oxygen ligands with XeOF(4) molecules that are only slightly distorted from their gas-phase C(4v) symmetry. Quantum-chemical calculations using SVWN and B3LYP methods were employed to calculate the gas-phase geometries, natural bond orbital analyses, and vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), XeOF(4), OsO(2)F(4), and (mu-FOsO(3)F(2))(2)OsO(3)F(-) to aid in the assignment of the experimental vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), and (OsO(3)F(2))(infinity). The vibrational modes of the low-temperature polymeric phase, (OsO(3)F(2))(infinity), have been

Three enzymatically active neurotoxins of Clostridium botulinum strain Af84: BoNT/A2, /F4, and /F5.

PubMed

Kalb, Suzanne R; Baudys, Jakub; Smith, Theresa J; Smith, Leonard A; Barr, John R

2014-04-01

Botulinum neurotoxins (BoNTs) are produced by various species of clostridia and are potent neurotoxins which cause the disease botulism, by cleaving proteins needed for successful nerve transmission. There are currently seven confirmed serotypes of BoNTs, labeled A-G, and toxin-producing clostridia typically only produce one serotype of BoNT. There are a few strains (bivalent strains) which are known to produce more than one serotype of BoNT, producing either both BoNT/A and /B, BoNT/A and /F, or BoNT/B and /F, designated as Ab, Ba, Af, or Bf. Recently, it was reported that Clostridium botulinum strain Af84 has three neurotoxin gene clusters: bont/A2, bont/F4, and bont/F5. This was the first report of a clostridial organism containing more than two neurotoxin gene clusters. Using a mass spectrometry based proteomics approach, we report here that all three neurotoxins, BoNT/A2, /F4, and /F5, are produced by C. botulinum Af84. Label free MS(E) quantification of the three toxins indicated that toxin composition is 88% BoNT/A2, 1% BoNT/F4, and 11% BoNT/F5. The enzymatic activity of all three neurotoxins was assessed by examining the enzymatic activity of the neurotoxins upon peptide substrates, which mimic the toxins' natural targets, and monitoring cleavage of the substrates by mass spectrometry. We determined that all three neurotoxins are enzymatically active. This is the first report of three enzymatically active neurotoxins produced in a single strain of Clostridium botulinum.

The Osmium(VIII) Oxofluoro Cations OsO(2)F(3)(+) and F(cis-OsO(2)F(3))(2)(+): Syntheses, Characterization by (19)F NMR Spectroscopy and Raman Spectroscopy, X-ray Crystal Structure of F(cis-OsO(2)F(3))(2)(+)Sb(2)F(11)(-), and Density Functional Theory Calculations of OsO(2)F(3)(+), ReO(2)F(3), and F(cis-OsO(2)F(3))(2)(+).

PubMed

Casteel, William J.; Dixon, David A.; Mercier, Hélène P. A.; Schrobilgen, Gary J.

1996-07-17

Osmium dioxide tetrafluoride, cis-OsO(2)F(4), reacts with the strong fluoride ion acceptors AsF(5) and SbF(5) in anhydrous HF and SbF(5) solutions to form orange salts. Raman spectra are consistent with the formation of the fluorine-bridged diosmium cation F(cis-OsO(2)F(3))(2)(+), as the AsF(6)(-) and Sb(2)F(11)(-) salts, respectively. The (19)F NMR spectra of the salts in HF solution are exchange-averaged singlets occurring at higher frequency than those of the fluorine environments of cis-OsO(2)F(4). The F(cis-OsO(2)F(3))(2)(+)Sb(2)F(11)(-) salt crystallizes in the orthorhombic space group Imma. At -107 degrees C, a = 12.838(3) Å, b = 10.667(2) Å, c = 11.323(2) Å, V = 1550.7(8) Å(3), and Z = 4. Refinement converged with R = 0.0469 [R(w) = 0.0500]. The crystal structure consists of discrete fluorine-bridged F(cis-OsO(2)F(3))(2)(+) and Sb(2)F(11)(-) ions in which the fluorine bridge of the F(cis-OsO(2)F(3))(2)(+) cation is trans to an oxygen atom (Os-O 1.676 Å) of each OsO(2)F(3) group. The angle at the bridge is 155.2(8) degrees with a bridging Os---F(b) distance of 2.086(3) Å. Two terminal fluorine atoms (Os-F 1.821 Å) are cis to the two oxygen atoms (Os-O 1.750 Å), and two terminal fluorine atoms of the OsO(2)F(3) group are trans to one another (1.813 Å). The OsO(2)F(3)(+) cation was characterized by (19)F NMR and by Raman spectroscopy in neat SbF(5) solution but was not isolable in the solid state. The NMR and Raman spectroscopic findings are consistent with a trigonal bipyramidal cation in which the oxygen atoms and a fluorine atom occupy the equatorial plane and two fluorine atoms are in axial positions. Density functional theory calculations show that the crystallographic structure of F(cis-OsO(2)F(3))(2)(+) is the energy-minimized structure and the energy-minimized structures of the OsO(2)F(3)(+) cation and ReO(2)F(3) are trigonal bipyramidal having C(2)(v)() point symmetry. Attempts to prepare the OsOF(5)(+) cation by oxidative fluorination of cis

Scintillation properties of Li6Y0.5Gd0.5(BO3)3: Ce3+ single crystal

NASA Astrophysics Data System (ADS)

Fawad, U.; Rooh, Gul; Kim, H. J.; Park, H.; Kim, Sunghwan; Khan, Sajid

2015-01-01

The Ce3+ doped mixed crystals of Li6Y(BO3)3 and Li6Gd(BO3)3 are grown by Czochralski technique with equal mole ratios of both Yttrium and Gadolinium i.e. Li6Y0.5Gd0.5(BO3)3. The grown crystals have the dimensions of ∅10×30 mm2. Powder X-ray diffraction (XRD) analysis confirmed single phase of the grown crystals. X-ray and laser induced luminescence spectra are presented. Scintillation properties such as energy resolution, light yield, decay time and α/β ratio under the excitation of 137Cs γ-ray photons and 241Am α-particles are also reported in this article.

Synthesis and photoluminescence properties of Pb2+ doped inorganic borate phosphor NaSr4(BO3)3

NASA Astrophysics Data System (ADS)

Chauhan, A. O.; Koparkar, K. A.; Bajaj, N. S.; Omanwar, S. K.

2016-05-01

A series of Inorganic borate phosphors NaSr4(BO3)3 doped with Pb2+ was successfully synthesized by modified solid state diffusion method. The crystal structure and the phase purity of sample were characterized by powder X-ray diffraction (XRD). The photoluminescence properties of synthesized materials were investigated using spectrofluorometer at room temperature. The phosphor show strong broad band emission spectra in UVA region maximum at 370 nm under the excitation of 289 nm. The dependence of the emission intensity on the Pb2+ concentration for the NaSr4(BO3)3 were studied in details. The concentration quenching of Pb2+ doped NaSr4(BO3)3 was observed at 0.02 mol. The Stokes shifts of NaSr4(BO3)3: Pb2+ phosphor was calculated to be 7574 cm-1.

Crystallization of spin superlattices with pressure and field in the layered magnet SrCu 2(BO 3) 2

DOE PAGES

Haravifard, S.; Graf, D.; Feiguin, A. E.; ...

2016-06-20

An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu 2(BO 3) 2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices.more » In conclusion, the magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems.« less

A photoelectron spectroscopy and quantum chemical study on ternary Al-B-O clusters: AlnBO2- and AlnBO2 (n = 2, 3).

PubMed

Ou, Ting; Feng, Yuan; Tian, Wen-Juan; Zhao, Li-Juan; Kong, Xiang-Yu; Xu, Hong-Guang; Zheng, Wei-Jun; Zhai, Hua-Jin

2018-02-14

Both B and Al have high oxygen affinity and their oxidation processes are highly exothermic, hinting at intriguing physical chemistry in ternary Al-B-O clusters. We report a combined photoelectron spectroscopy and density-functional study on the structural, electronic, and bonding properties of Al n BO 2 - and Al n BO 2 (n = 2, 3) clusters. Ground-state vertical detachment energies (VDEs) are measured to be 2.83 and 2.24 eV for Al 2 BO 2 - and Al 3 BO 2 - , respectively. A weak isomer is also observed for Al 3 BO 2 - with a VDE of 1.31 eV. Coalescence-kick global searches allow the identification of candidate structures, confirmed via comparisons with experiment. The Al 2 BO 2 - anion is V-shaped in geometry, C s ( 1 A'), with an Al center connecting to OB and OAl terminals. It can be viewed alternatively as the fusion of BOAl and AlOAl by sharing an Al atom. Al 3 BO 2 - has a C s ( 2 A'') global minimum in which an Al 2 dimer interacts with bridging boronyl (BO) and an OAl unit, as well as a low-lying C 2v ( 2 B 2 ) isomer consisting of boronyl and OAl that are doubly bridged by two Al atoms. The BO 2 block (linear O[double bond, length as m-dash]B[double bond, length as m-dash]O chain) is nonexistent in any of the anion and neutral species. Chemical bonding in these Al-B-O clusters is elucidated via canonical molecular orbitals and adaptive natural density partitioning. The cluster structures are also rationalized using the concept of sequential and competitive oxidation of B versus Al centers in Al n B. The first O atom prefers to oxidize B and form BO, whereas the second O atom has options to interact with a fresh Al/Al n /Al n B unit or a BO group. The former route wins thermodynamically, leading to the observed geometries.

Properties and Crystallization Phenomena in Li2Si2O5-Ca5(PO4)3F and Li2Si2O5-Sr5(PO4)3F Glass-Ceramics Via Twofold Internal Crystallization.

PubMed

Rampf, Markus; Dittmer, Marc; Ritzberger, Christian; Schweiger, Marcel; Höland, Wolfram

2015-01-01

The combination of specific mechanical, esthetic, and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass-ceramic materials. The present study outlines the potential of precipitating Ca5(PO4)3F as well as Sr5(PO4)3F as minor crystal phases in Li2Si2O5 glass-ceramics. Base glasses with different contents of CaO/SrO, P2O5, and F(-) were prepared within the glasses of the SiO2-Li2O-K2O-CaO/SrO-Al2O3-P2O5-F system. Preliminary studies of nucleation by means of XRD and scanning electron microscopy (SEM) of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass-ceramics was established. The microstructures of the glass-ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass-ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO4)3F and Sr5(PO4)3F influence the translucency of the glass-ceramics and, hence, help to precisely tailor the properties of Li2Si2O5 glass-ceramics. The authors conclude that the twofold crystallization of Li2Si2O5-Ca5(PO4)3F or Li2Si2O5-Sr5(PO4)3F glass-ceramics involves independent solid-state reactions, which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass-ceramics and, hence, displays new potential for dental applications.

Magnetic properties of Co 2 2+ Co 1 - x 3+ Fe x 3+ BO5 ( x = 0.10) single crystals with a ludwigite structure

NASA Astrophysics Data System (ADS)

Knyazev, Yu. V.; Kazak, N. V.; Bayukov, O. A.; Platunov, M. S.; Velikanov, D. A.; Bezmaternykh, L. N.; Ivanova, N. B.; Ovchinnikov, S. G.

2017-04-01

The investigation of mixed Co-Fe ludwigite single crystals shows that their magnetic properties are close to the magnetic properties of Fe3BO5 despite the predominance of cobalt ions. The magnetic properties of Co3 - x Fe x BO5 single crystals with x = 0.10 are studied in detail. Magnetometric measurements demonstrate a strong magnetic anisotropy with easy magnetization axis b, and the orbital magnetic moment of cobalt is in a frozen state. The detected temperature dependence of the absorption of Mössbauer spectra allowed us to determine the magnetic ordering temperature, which agrees with the results of magnetization measurements ( T C = 84 K).

Pb4(BO3)2(SO4) and Pb2[(BO2)(OH)](SO4): New lead(II) borate-sulfate mixed-anion compounds with two types of 3D network structures

NASA Astrophysics Data System (ADS)

Ruan, Ting-Ting; Wang, Wen-Wen; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao

2018-04-01

Two new lead(II) borate-sulfate mixed-anion compounds, namely, Pb4(BO3)2(SO4) and Pb2[(BO2)(OH)](SO4), have been prepared by using high-temperature melt method or hydrothermal reaction. These compounds exhibit two different types of 3D structures composed of the same anionic units of BO3 triangles and SO4 tetrahedra which are interconnected by lead(II) cations. In Pb4(BO3)2(SO4), the lead(II) ions are bridged by borate anions into 3D [Pb4(BO3)2]2+ architectures with 1D tunnels of 8-member rings along the a-axis, which are filled by the sulfate anions. In Pb2[(BO2)(OH)](SO4), the lead(II) ions are interconnected by borate and sulfate anions into 2D Pb-B-O and Pb-S-O layers parallel to the ab plane, respectively, and these layers are further condensed into the 3D lead(II) borate-sulfate framework. TGA and DSC studies indicate that Pb4(BO3)2(SO4) is congruently melting with a melting point of 689 °C whereas Pb2[(BO2)(OH)](SO4) decomposes at approximately 335 °C. UV/Vis/NIR optical diffuse reflectance spectrum measurements reveal the optical band gaps of 4.03 and 4.08 eV for Pb4(BO3)2(SO4) and Pb2[(BO2)(OH)](SO4), respectively. Furthermore, the electronic structures of Pb4(BO3)2(SO4) have also been calculated.

Electrical properties of crystallized 30B2O3-70V2O5 glass

NASA Astrophysics Data System (ADS)

Gwoo, Donggun; Kim, Taehee; Han, Kyungseok; Choi, Wongyu; Kim, Jonghwan; Ryu, Bongki

2013-05-01

30B2O3-70V2O5 binary-system glass was prepared, and variations in structural and electrical property were examined using crystallization. While different related research studies exist, few have evaluated the variations in the structure and properties with changes in the crystallization rate. 30B2O3-70V2O5 glass was annealed in the graphite mold above the glass transition temperature for 2 h and heat-treated at each crystallization temperature for 3 h. 30B2O3-70V2O5 glass showed predominantly electronic conductive characteristic. FTIR was preferentially used for analyzing the structural changes of B-O bond after crystallization, while XRD was utilized to verify the inferred changes in the structure array (BO3 + V2O5 ↔ BO4 + 2VO2). Structural changes induced by heat treatment were confirmed by analyzing the molecular volume determined from the sample density, and conductance was measured to correlate structural and property changes. Conductivity is discussed based on the migration of vanadate ions with different valence states because of the increase in VO2 crystallinity at 130°C, which, however, was not observed at 170°C. After VO2 structures were reinforced, a 1.8-fold increase in conductance was observed (as compared to the annealed sample) after crystallization at 130°C for 3 h.

Syntheses, Raman spectra, and X-ray crystal structures of [XeF(5)][mu-F(OsO(3)F(2))(2)] and [M][OsO(3)F(3)] (M = XeF(5)(+), Xe(2)F(11)(+)).

PubMed

Hughes, Michael J; Mercier, Hélène P A; Schrobilgen, Gary J

2010-04-05

Stoichiometric amounts of XeF(6) and (OsO(3)F(2))(infinity) react at 25-50 degrees C to form salts of the known XeF(5)(+) and Xe(2)F(11)(+) cations, namely, [XeF(5)][mu-F(OsO(3)F(2))(2)], [XeF(5)][OsO(3)F(3)], and [Xe(2)F(11)][OsO(3)F(3)]. Although XeF(6) is oxophilic toward a number of transition metal and main-group oxides and oxide fluorides, fluoride/oxide metathesis was not observed. The series provides the first examples of noble-gas cations that are stabilized by metal oxide fluoride anions and the first example of a mu-F(OsO(3)F(2))(2)(-) salt. Both [XeF(5)][mu-F(OsO(3)F(2))(2)] and [Xe(2)F(11)][OsO(3)F(3)] are orange solids at room temperature. The [XeF(5)][OsO(3)F(3)] salt is an orange liquid at room temperature that solidifies at 5-0 degrees C. When the salts are heated at 50 degrees C under 1 atm of N(2) for more than 2 h, significant XeF(6) loss occurs. The X-ray crystal structures (-173 degrees C) show that the salts exist as discrete ion pairs and that the osmium coordination spheres in OsO(3)F(3)(-) and mu-F(OsO(3)F(2))(2)(-) are pseudo-octahedral OsO(3)F(3)-units having facial arrangements of oxygen and fluorine atoms. The mu-F(OsO(3)F(2))(2)(-) anion is comprised of two symmetry-related OsO(3)F(2)-groups that are fluorine-bridged to one another. Ion pairing results from secondary bonding interactions between the fluorine/oxygen atoms of the anions and the xenon atom of the cation, with the Xe...F/O contacts occurring opposite the axial fluorine and from beneath the equatorial XeF(4)-planes of the XeF(5)(+) and Xe(2)F(11)(+) cations so as to avoid the free valence electron lone pairs of the xenon atoms. The xenon atoms of [XeF(5)][mu-F(OsO(3)F(2))(2)] and [Xe(2)F(11)][OsO(3)F(3)] are nine-coordinate and the xenon atom of [XeF(5)][OsO(3)F(3)] is eight-coordinate. Quantum-chemical calculations at SVWN and B3LYP levels of theory were used to obtain the gas-phase geometries, vibrational frequencies, and NBO bond orders, valencies, and NPA charges of

Syntheses and crystal structures of two new hydrated borates, Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] and Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen Xuean; Zhao Yinghua; Chang Xinan

Two new hydrated borates, Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] and Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O, have been prepared by hydrothermal reactions at 170 {sup o}C. Single-crystal X-ray structural analyses showed that Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] crystallizes in a non-centrosymmetric space group R32 with a=8.006(2) A, c=17.751(2) A, Z=3 and Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O in a triclinic space group P1-bar with a=6.656(2) A, b=6.714(2) A, c=10.701(2) A, {alpha}=99.07(2){sup o}, {beta}=93.67(2){sup o}, {gamma}=118.87(1){sup o}, Z=2. Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] represents a new structure type in which Zn-centered tetrahedra are connected via common vertices leading to helical ribbons {submore » {infinity}} {sup 1}[Zn{sub 8}O{sub 15}(OH){sub 3}]{sup 17-} that pack side by side and are further condensed through sharing oxygen atoms to form a three-dimensional {sub {infinity}} {sup 3}[Zn{sub 8}O{sub 11}(OH){sub 3}]{sup 9-} framework. The boron atoms are incorporated into the channels in the framework to complete the final structure. Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O is a layered compound containing double ring [B{sub 5}O{sub 8}(OH)]{sup 2-} building units that share exocyclic oxygen atoms to form a two-dimensional layer. Symmetry-center-related layers are stacked along the c-axis and held together by interlayer Pb{sup 2+} ions and water molecules via electrostatic and hydrogen bonding interactions. The IR spectra further confirmed the existence of both triangular BO{sub 3} and OH groups in Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}], and BO{sub 3}, BO{sub 4}, OH groups as well as guest water molecules in Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O. -- Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] represents a new structure type in which Zn-centered tetrahedra are connected via common vertices to form a three-dimensional framework. The boron atoms are incorporated into the channels in the framework to

Luminescence properties of Eu3+ doped CdF2 single crystals

NASA Astrophysics Data System (ADS)

Boubekri, H.; Diaf, M.; Guerbous, L.; Jouart, J. P.

2018-04-01

This paper reports the photoluminescence properties of Eu3+ doped CdF2 single crystals. The pulled crystals were prepared by use of the Bridgman technique from a vacuum furnace in fluoride atmosphere. Absorption, excitation and emission spectra of the crystal doped with three Eu3+ concentrations (0.02%, 0.1% and 0.6% mol.) were recorded at room temperature. The emission spectra exhibit a strong yellow and red emissions in the spectral range 550-720 nm which are assigned to 5D0 → 7FJ (J = 1, 2, 4) transitions and a weak infrared emission around 816 nm corresponding to 5D0 → 7F6 transition. The magnetic dipole emission (5D0 → 7F1) is the most intense for each Eu3+ concentration. The Judd-Ofelt intensity parameters Ω2, Ω4, Ω6 for 4f-4f transitions of Eu3+ ions were computed from the emission spectra using the 5D0 → 7FJ (J = 1, 2, 4, 6) transitions. Via these phenomenological intensity parameters, the spontaneous emission probabilities, branching ratios, radiative lifetimes, quantum efficiencies and emission cross-sections for the main Eu3+ emitting levels are evaluated.

Multichannel Luminescence Properties of Mixed-Valent Eu2+/Eu3+ Coactivated SrAl3BO7 Nanocrystalline Phosphors for Near-UV LEDs.

PubMed

Liu, Xiaoming; Xie, Weijie; Lü, Ying; Feng, Jingchun; Tang, Xinghua; Lin, Jun; Dai, Yuhua; Xie, Yu; Yan, Liushui

2017-11-20

Up to now, orchestrating the coexistence of Eu 2+ and Eu 3+ activators in a single host lattice has been an extremely difficult task, especially for the appearance of the characteristic emission of Eu 2+ and Eu 3+ in order to generate white light. Nevertheless, here we demonstrate a new Eu 2+ /Eu 3+ coactivated SrAl 3 BO 7 nanocrystalline phosphor with abundant and excellent multichannel luminescence properties. A series of Eu 2+ /Eu 3+ coactivated SrAl 3 BO 7 nanocrystalline phosphors were prepared through a Pechini-type sol-gel method followed by a reduction process. With excitation of UV/NUV light, the prepared SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphors show not only the characteristic f-f transitions of Eu 3+ ion ( 5 D J → 7 F J,J' , J, J' = 0-3), but also the 5d → 4f transitions of Eu 2+ ion with comparable intensity from 400 to 700 nm in the whole visible spectral region. The luminescence color of the SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphor can be tuned from blue, blue-green, white, and orange to orange-red by changing the excitation wavelength, the overall doping concentration of europium ions (Eu 2+ , Eu 3+ ), and the relative ratio of Eu 2+ to Eu 3+ ions to some extent. A single-phase white-light emission has been realized in SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphor. The obtained SrAl 3 BO 7 :Eu 2+ ,Eu 3+ phosphor has potential application in the area of NUV white-light-emitting diodes.

Magneto-optical spectra and electron structure of Nd0.5Gd0.5Fe3(BO3)4 single crystal

NASA Astrophysics Data System (ADS)

Malakhovskii, A. V.; Gnatchenko, S. L.; Kachur, I. S.; Piryatinskaya, V. G.; Sukhachev, A. L.; Temerov, V. L.

2016-03-01

Polarized absorption spectra and magnetic circular dichroism (MCD) spectra of Nd0.5Gd0.5Fe3(BO3)4 single crystal were measured in the range of 10000-21000 cm-1 and at temperatures 2-300 K. On the basis of these data, in the paramagnetic state of the crystal, the 4f states of the Nd3+ ion were identified in terms of the irreducible representations and in terms of | J , ±MJ 〉 wave functions of the free atom. The changes of the Landé factor during f-f transitions were found theoretically in the | J , ±MJ 〉 wave functions approximation and were determined experimentally with the help of the measured MCD spectra. In the majority of cases the experimentally found values are close to the theoretically predicted ones.

Clostridium botulinum strains producing BoNT/F4 or BoNT/F5.

PubMed

Raphael, Brian H; Bradshaw, Marite; Kalb, Suzanne R; Joseph, Lavin A; Lúquez, Carolina; Barr, John R; Johnson, Eric A; Maslanka, Susan E

2014-05-01

Botulinum neurotoxin type F (BoNT/F) may be produced by Clostridium botulinum alone or in combination with another toxin type such as BoNT/A or BoNT/B. Type F neurotoxin gene sequences have been further classified into seven toxin subtypes. Recently, the genome sequence of one strain of C. botulinum (Af84) was shown to contain three neurotoxin genes (bont/F4, bont/F5, and bont/A2). In this study, eight strains containing bont/F4 and seven strains containing bont/F5 were examined. Culture supernatants produced by these strains were incubated with BoNT/F-specific peptide substrates. Cleavage products of these peptides were subjected to mass spectral analysis, allowing detection of the BoNT/F subtypes present in the culture supernatants. PCR analysis demonstrated that a plasmid-specific marker (PL-6) was observed only among strains containing bont/F5. Among these strains, Southern hybridization revealed the presence of an approximately 242-kb plasmid harboring bont/F5. Genome sequencing of four of these strains revealed that the genomic backgrounds of strains harboring either bont/F4 or bont/F5 are diverse. None of the strains analyzed in this study were shown to produce BoNT/F4 and BoNT/F5 simultaneously, suggesting that strain Af84 is unusual. Finally, these data support a role for the mobility of a bont/F5-carrying plasmid among strains of diverse genomic backgrounds.

Properties and Crystallization Phenomena in Li2Si2O5–Ca5(PO4)3F and Li2Si2O5–Sr5(PO4)3F Glass–Ceramics Via Twofold Internal Crystallization

PubMed Central

Rampf, Markus; Dittmer, Marc; Ritzberger, Christian; Schweiger, Marcel; Höland, Wolfram

2015-01-01

The combination of specific mechanical, esthetic, and chemical properties is decisive for the application of materials in prosthodontics. Controlled twofold crystallization provides a powerful tool to produce special property combinations for glass–ceramic materials. The present study outlines the potential of precipitating Ca5(PO4)3F as well as Sr5(PO4)3F as minor crystal phases in Li2Si2O5 glass–ceramics. Base glasses with different contents of CaO/SrO, P2O5, and F− were prepared within the glasses of the SiO2–Li2O–K2O–CaO/SrO–Al2O3–P2O5–F system. Preliminary studies of nucleation by means of XRD and scanning electron microscopy (SEM) of the nucleated base glasses revealed X-ray amorphous phase separation phenomena. Qualitative and quantitative crystal phase analyses after crystallization were conducted using XRD in combination with Rietveld refinement. As a main result, a direct proportional relationship between the content of apatite-forming components in the base glasses and the content of apatite in the glass–ceramics was established. The microstructures of the glass–ceramics were investigated using SEM. Microstructural and mechanical properties were found to be dominated by Li2Si2O5 crystals and quite independent of the content of the apatite present in the glass–ceramics. Biaxial strengths of up to 540 MPa were detected. Ca5(PO4)3F and Sr5(PO4)3F influence the translucency of the glass–ceramics and, hence, help to precisely tailor the properties of Li2Si2O5 glass–ceramics. The authors conclude that the twofold crystallization of Li2Si2O5–Ca5(PO4)3F or Li2Si2O5–Sr5(PO4)3F glass–ceramics involves independent solid-state reactions, which can be controlled via the chemical composition of the base glasses. The influence of the minor apatite phase on the optical properties helps to achieve new combinations of features of the glass–ceramics and, hence, displays new potential for dental applications. PMID:26389112

Absorption of Dy3+ and Nd3+ ions in Ba R 2F8 single crystals

NASA Astrophysics Data System (ADS)

Apollonov, V. V.; Pushkar', A. A.; Uvarova, T. V.; Chernov, S. P.

2008-09-01

The Dy3+ absorption and excitation spectra of BaY2F8 and BaYb2F8 single crystals are investigated in the ultraviolet, vacuum ultraviolet, and visible ranges at a temperature of 300 K. These crystals exhibit intense broad absorption bands due to the spin-allowed 4 f-5 d transitions in the range (56-78) × 10-3 cm-1 and less intense absorption bands that correspond to the spin-forbidden transitions in the range (50-56) × 10-3 cm-1. The Nd3+ absorption spectra of BaY2F8 single crystals are studied in the range (34-82) × 10-3 cm-1 at 300 K for different crystal orientations.

Effects of scandium substitution on the crystal structure and luminescence properties of LuBO{sub 3}: Ce{sup 3+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yuntao, E-mail: caswyt@hotmail.com; Ren, Guohao, E-mail: rgh@mail.sic.ac.cn; Ding, Dongzhou

2012-10-15

The calcite phase of LuBO{sub 3} and ScBO{sub 3} polycrystalline powders were synthesized by solid state reaction method, and the Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce (x=0.2, 0.5, 0.7) single crystals were grown by the Czochralski method. A large composition deviation between the initial polycrystalline powders and final single crystal was confirmed by electron probe micro-analysis. Raman spectroscopy revealed that moderate lattice disorder was induced by scandium substitution. However, based on the single crystal X-ray study, we finally concluded that the crystal structure of lutetium scandium orthoborate still crystallized in the rhombohedral system belonging to R3{sup -}c. Furthermore, the relationship between themore » energies of the five 5d levels of Ce{sup 3+} and the crystalline environment was revealed. The total redshift, total crystal field splitting, and centroid shift of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce{sup 3+} were calculated based on their VUV excitation spectra. The variations trend of these observed spectroscopic parameters was in accordance with the predicted ones. - Graphical abstract: The crystal structure of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce is rhombohedral system with R3{sup -}c space group. The relationship between the energies of the five Ce{sup 3+} 5d levels and the crystalline environment is established. Highlights: Black-Right-Pointing-Pointer Moderate lattice disorder is induced by scandium doping. Black-Right-Pointing-Pointer The crystal structure of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce is rhombohedral system with R3{sup -}c space group. Black-Right-Pointing-Pointer Relationship between energies of Ce{sup 3+} 5d levels and crystalline environment is established. Black-Right-Pointing-Pointer The spectroscopic parameters are experimentally and theoretically calculated.« less

40 CFR 721.3031 - Boric acid (H3BO3), zinc salt (2=3).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Boric acid (H3BO3), zinc salt (2=3... Substances § 721.3031 Boric acid (H3BO3), zinc salt (2=3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as boric acid (H3BO3), zinc salt (2=3) (PMN P...

40 CFR 721.3031 - Boric acid (H3BO3), zinc salt (2=3).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Boric acid (H3BO3), zinc salt (2=3... Substances § 721.3031 Boric acid (H3BO3), zinc salt (2=3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as boric acid (H3BO3), zinc salt (2=3) (PMN P...

Description and crystal structure of albrechtschraufite, MgCa4F2[UO2(CO3)3]2ṡ17-18H2O

NASA Astrophysics Data System (ADS)

Mereiter, Kurt

2013-04-01

Albrechtschraufite, MgCa4F2[UO2(CO3)3]2ṡ17-18H2O, triclinic, space group Pī, a = 13.569(2), b = 13.419(2), c = 11.622(2) Å, α = 115.82(1), β = 107.61(1), γ = 92.84(1)° (structural unit cell, not reduced), V = 1774.6(5) Å3, Z = 2, D c = 2.69 g/cm3 (for 17.5 H2O), is a mineral that was found in small amounts with schröckingerite, NaCa3F[UO2(CO3)3](SO4)ṡ10H2O, on a museum specimen of uranium ore from Joachimsthal (Jáchymov), Czech Republic. The mineral forms small grain-like subhedral crystals (≤ 0.2 mm) that resemble in appearance liebigite, Ca2[UO2(CO3)3]ṡ ~ 11H2O. Colour pale yellow-green, luster vitreous, transparent, pale bluish green fluorescence under ultraviolet light. Optical data: Biaxial negative, nX = 1.511(2), nY = 1.550(2), nZ = 1.566(2), 2 V = 65(1)° ( λ = 589 nm), r < v weak. After qualitative tests had shown the presence of Ca, U, Mg, CO2 and H2O, the chemical formula was determined by a crystal structure analysis based on X-ray four-circle diffractometer data. The structure was later on refined with data from a CCD diffractometer to R1 = 0.0206 and wR2 = 0.0429 for 9,236 independent observed reflections. The crystal structure contains two independent [UO2(CO3)3]4- anions of which one is bonded to two Mg and six Ca while the second is bonded to only one Mg and three Ca. Magnesium forms a MgF2(Ocarbonate)3(H2O) octahedron that is linked via the F atoms with three Ca atoms so as to provide each F atom with a flat pyramidal coordination by one Mg and two Ca. Calcium is 7- and 8-coordinate forming CaFO6, CaF2O2(H2O)4, CaFO3(H2O)4 and CaO2(H2O)6 coordination polyhedra. The crystal structure is built up from MgCa3F2[UO2(CO3)3]ṡ8H2O layers parallel to (001) which are linked by Ca[UO2(CO3)3]ṡ5H2O moieties into a framework of the composition MgCa4F2[UO2(CO3)3]ṡ13H2O. Five additional water molecules are located in voids of the framework and show large displacement parameters. One of the water positions is partly vacant, leading to a

Comparative Study of the Magnetoelectric Effect in HoAl3(BO3)4 and HoGa3(BO3)4 Single Crystals

NASA Astrophysics Data System (ADS)

Freidman, A. L.; Dubrovskii, A. A.; Temerov, V. L.; Gudim, I. A.

2018-03-01

The comparative study of the magnetoelectric properties and magnetostriction of HoGa3(BO3)4 and HoAl3(BO3)4 single crystals has been carried out. The investigated compounds exhibit qualitatively similar magnetodielectric and inverse magnetoelectric ME E effects with the close absolute values, which is indicative of the weak effect of a nonmagnetic metal ion. On the contrary, the magnetostriction of the galloborate has been found to be threefold higher than that of the alumoborate. In addition, the difference between the qualitative behaviors of magnetostriction has been established: the magnetic-field dependence of magnetostriction for the alumoborate has the maximum near 70 kOe at T = 4.2 K, while the galloborate magnetostriction has no maximum and does not saturate in a field of 140 kOe.

Growth of Ca 4YO(BO 3) 3 crystals by vertical Bridgman method

NASA Astrophysics Data System (ADS)

Luo, Jun; Fan, Shiji; Wang, Jinchang; Zhong, Zhenwu; Qian, Guoxing; Sun, Renying

2001-07-01

Growth of single crystals of Ca 4YO(BO 3) 3 (YCOB) by the vertical Bridgman method is reported in this paper. By using near-sealed Pt crucibles to prevent volatilization of B 2O 3, the high-optical-quality YCOB crystals of 25 mm diameter and more than 40 mm in length have been grown at the furnace temperature of 50-80°C above the melting point of YCOB and the crucible lowering rates of 0.2-0.6 mm/h. Owing to the low vertical and radial temperature gradient, crack-free YCOB crystals have been obtained in the <0 1 0> and <0 0 1> directions. At the top of a YCOB boule, the dislocation density was found to decrease from the center to the outer area, and the average dislocation density is about 600/cm 2.

Correlation of EMR and optical spectroscopy data for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4 crystal - Extracting low symmetry aspects

NASA Astrophysics Data System (ADS)

Rudowicz, Czesław; Gnutek, Paweł; Açıkgöz, Muhammed

2015-08-01

In this study, the crystal field analysis for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4, for short YAB, crystal has been carried out to complement earlier study of the zero-field splitting (ZFS) parameters (ZFSPs). This analysis utilizes data on the distortion models obtained from analysis of the ZFSPs obtained experimentally by EMR for Cr3+ and Mn2+ ions at the Y3+ and Al3+ sites in YAB. This approach enables to verify and enhance reliability of the ZFSP modeling based on superposition model (SPM) analysis and the distortion models predicted previously. Subsequently, modeling of the crystal field parameters (CFPs) based on SPM analysis is carried out for Cr3+ and Mn2+ ions located at possible cation sites in YAB. The SPM predicted CFP values serve as input for the Crystal Field Analysis (CFA) package to calculate the CF energy levels. The predicted physical ZFS of the ground spin state, i.e. the 4A2 state for Cr3+ ion and the 6S state Mn2+ ions, enable calculation of the theoretical ZFSP values, D and D & (a-F), respectively, using the microscopic spin Hamiltonian (MSH) module in the CFA package. In this way, data on the distortions around the Cr3+ centers in YAB (and to a certain extent also for Mn2+ centers) obtained using the ZFSP data from EMR measurements may be correlated with data on the CF energy levels measured by optical spectroscopy. This modeling approach uncovers certain incompatibilities in the existing data for Cr3+:YAB, which call for reanalysis of the previous assignments of the energy levels observed in optical spectra and more accurate experimental data.

Synthesis and photoluminescence properties of Pb{sup 2+} doped inorganic borate phosphor NaSr{sub 4}(BO{sub 3}){sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chauhan, A. O., E-mail: abhi2718@gmail.com; Koparkar, K. A.; Omanwar, S. K.

2016-05-06

A series of Inorganic borate phosphors NaSr{sub 4}(BO{sub 3}){sub 3} doped with Pb{sup 2+} was successfully synthesized by modified solid state diffusion method. The crystal structure and the phase purity of sample were characterized by powder X-ray diffraction (XRD). The photoluminescence properties of synthesized materials were investigated using spectrofluorometer at room temperature. The phosphor show strong broad band emission spectra in UVA region maximum at 370 nm under the excitation of 289 nm. The dependence of the emission intensity on the Pb{sup 2+} concentration for the NaSr{sub 4}(BO{sub 3}){sub 3} were studied in details. The concentration quenching of Pb{sup 2+}more » doped NaSr{sub 4}(BO{sub 3}){sub 3} was observed at 0.02 mol. The Stokes shifts of NaSr{sub 4}(BO{sub 3}){sub 3}: Pb{sup 2+} phosphor was calculated to be 7574 cm{sup −1}.« less

Temperature dependence of local structural changes around transition metal centers Cr3+ and Mn2+ in RAl3(BO3)4 crystals studied by EMR

NASA Astrophysics Data System (ADS)

Açıkgöz, Muhammed; Rudowicz, Czesław; Gnutek, Paweł

2017-11-01

Theoretical investigations are carried out to determine the temperature dependence of the local structural parameters of Cr3+ and Mn2+ ions doped into RAl3(BO3)4 (RAB, R = Y, Eu, Tm) crystals. The zero-field splitting (ZFS) parameters (ZFSPs) obtained from the spin Hamiltonian (SH) analysis of EMR (EPR) spectra serve for fine-tuning the theoretically predicted ZFSPs obtained using the semi-empirical superposition model (SPM). The SPM analysis enables to determine the local structure changes around Cr3+ and Mn2+ centers in RAB crystals and explain the observed temperature dependence of the ZFSPs. The local monoclinic C2 site symmetry of all Al sites in YAB necessitates consideration of one non-zero monoclinic ZFSP (in the Stevens notation, b21) for Cr3+ ions. However, the experimental second-rank ZFSPs (D =b20 , E = 1 / 3b22) were expressed in a nominal principal axis system. To provide additional insight into low symmetry aspects, the distortions (ligand's distances ΔRi and angular distortions Δθi) have been varied while preserving monoclinic site symmetry, in such way as to obtain the calculated values (D, E) close to the experimental ones, while keeping b21 close to zero. This procedure yields good matching of the calculated ZFSPs and the experimental ones, and enables determination of the corresponding local distortions. The present results may be useful in future studies aimed at technological applications of the Huntite-type borates with the formula RM3(BO3)4. The model parameters determined here may be utilized for ZFSP calculations for Cr3+ and Mn2+ ions at octahedral sites in single-molecule magnets and single-chain magnets.

Irradiation effect on luminescence properties of fluoroperovskite single crystal (LiBaF3:Eu2+)

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Madhusoodanan, U.; Nithya, R.; Ramasamy, P.

2014-03-01

Single crystals of pure and Eu2+ doped LiBaF3 have been grown from melt by using a vertical Bridgman-Stockbarger method. Effects induced by irradiation on europium doped LiBaF3 (lithium barium fluoride) single crystals were monitored by optical absorption, photoluminescence and thermoluminescence studies. The absorption bands of Eu2+ ions with peaks at 240, 290 and 320 nm were observed in the LiBaF3:Eu2+ crystal. Drastic increase in absorption was noted below 600 nm after gamma irradiation, which was dependent on the radiation dose. The additional absorption peak at around 570 nm was observed in irradiated crystal due to the ionization process Eu2+(-)e-→Eu3+. Photoluminescence of Eu2+ doped LiBaF3 single crystal shows sharp line peaked at ~359 nm and a broad band extending between 370 and 450 nm which shows a considerable reduction in Eu2+ PL intensity after gamma irradiation. Irradiated LiBaF3:Eu2+ sample has revealed three intense TL glow peaks at 128 °C (peak-1), 281 °C (peak-2) and 407 °C (peak-3). Activation energy (E) and frequency factor (s) of the latter two peaks were determined by various heating rate (VHR) method and graphical method.

Hydrothermal crystal growth of oxides for optical applications

NASA Astrophysics Data System (ADS)

McMillen, Colin David

2007-12-01

The manipulation of light has proven to be an integral part of today's technology-based society. In particular, there is great interest in obtaining coherent radiation in all regions of the optical spectrum to advance technology in military, medical, industrial, scientific and consumer fields. Exploring new crystal growth techniques as well as the growth of new optical materials is critical in the advancement of solid state optics. Surprisingly, the academic world devotes little attention to the growth of large crystals. This shortcoming has left gaps in the optical spectrum inaccessible by solid state devices. This dissertation explores the hydrothermal crystal growth of materials that could fill two such gaps. The first gap exists in the deep-UV region, particularly below 200 nm. Some materials such as LiB3O5 and beta-BaB2O4 can generate coherent light at wavelengths as low as 205 nm. The growth of these materials was explored to investigate the feasibility of the hydrothermal method as a new technique for growing these crystals. Particular attention was paid to the descriptive chemistry surrounding these systems, and several novel structures were elucidated. The study was also extended to the growth of materials that could be used for the generation of coherent light as low as 155 nm. Novel synthetic schemes for Sr2Be2B2O7 and KBe2BO 3F2 were developed and the growth of large crystals was explored. An extensive study of the structures, properties and crystal growth of related compounds, RbBe2BO3F2 and CsBe2BO 3F2, was also undertaken. Optimization of a number of parameters within this family of compounds led to the hydrothermal growth of large, high quality single crystal at rates suitable for large-scale growth. The second gap in technology is in the area of high average power solid state lasers emitting in the 1 mum and eye-safe (>1.5 mum) regions. A hydrothermal technique was developed to grow high quality crystals of Sc 2O3 and Sc2O3 doped with suitable

Solid-liquid phase equilibria in the ternary system (LiBO2 + Li2CO3 + H2O) at 288.15 and 298.15 K

NASA Astrophysics Data System (ADS)

Wang, Shi-qiang; Guo, Ya-fei; Yang, Jian-sen; Deng, Tian-long

2015-12-01

Experimental studies on the solubilities and physicochemical properties including density, refractive index and pH value in the ternary systems (LiBO2 + Li2CO3 + H2O) at 288.15 and 298.15 K were determined with the method of isothermal dissolution equilibrium. Based on the experimental results, the phase diagrams and their corresponding physicochemical properties versus composition diagram in the system were plotted. In the phase diagrams of the ternary system at 288.15 and 298.15 K, there are one eutectic point and two crystallization regions corresponding to lithium metaborate octahydrate (LiBO2 · 8H2O) and lithium carbonate (Li2CO3), respectively. This system at both temperatures belongs to hydrate type I, and neither double salt nor solid solution was found. A comparison of the phase diagrams for this ternary system at 288.15 and 298.15 K shows that the solid phase numbers and exist minerals are the same, and the area of crystallization region of Li2CO3 is increased obviously with the increasing temperature while that of LiBO2 · 8H2O is decreased. The physicochemical properties (density, pH value and refractive index) of the solutions of the ternary system at two temperatures changes regularly with the increasing lithium carbonate concentration. The calculated values of density and refractive index using empirical equations of the ternary system are in good agreement with the experimental values.

Spectroscopic properties of HoAl3(BO3)4 single crystal

NASA Astrophysics Data System (ADS)

Ikonnikov, D. A.; Malakhovskii, A. V.; Sukhachev, A. L.; Temerov, V. L.; Krylov, A. S.; Bovina, A. F.; Aleksandrovsky, A. S.

2014-11-01

The Judd-Ofelt theory has been applied to analyze absorption spectra of Ho3+ ion in HoAl3(BO3)4 measured in spectral range 300-700 nm at room temperature. The Judd-Ofelt spectroscopic parameters have been determined as: Ω2 = 18.87 × 10-20 cm2, Ω4 = 17.04 × 10-20 cm2, Ω6 = 9.21 × 10-20 cm2. These parameters have been used to calculate radiative lifetimes and branching ratios of the luminescence manifolds. Three luminescent bands were found in the spectral range 450-700 nm ascribed to transitions from the 5F5, (5F4, 5S2) and 3K8 states to the ground state 5I8. Experimental intensities of these luminescence transitions were compared with those calculated by using Judd-Ofelt theory and the system of kinetic equations for populations of starting luminescing states. Probabilities of radiativeless transitions were evaluated from this comparison.

Synthesis and structural characterization of Li3K3Y7(BO3)9

NASA Astrophysics Data System (ADS)

Bräuchle, Sebastian; Huppertz, Hubert

2017-09-01

Li3K3Y7(BO3)9 was prepared by high-temperature solid state synthesis at 900 °C in a platinum crucible from lithium carbonate, potassium carbonate, boric acid, and yttrium(III) oxide. The compound crystallizes in the orthorhombic space group Pca21 (no. 29) (Z = 4). The structure was refined from single-crystal X-ray diffraction data: a = 20.743(8), b = 6.387(4), c = 17.474(4) Å, V = 2315.2(2) Å3, R1 = 0.0473, and wR2 = 0.0637 for all data. The crystal structure of Li3K3Y7(BO3)9 consists of isolated BO3 groups forming [Li3B4O21] units in combination with LiO6 octahedra in the ac plane, which are interconnected to each other by additional planar BO3 groups. The Y3+ and K+ cations are arranged in layers along the a-axis.

A strategy for optical properties investigation in ABe2BO3F2 (A=K, Rb, Cs) using finite field methods

NASA Astrophysics Data System (ADS)

Mushahali, Hahaer; Mu, Baoxia; Wang, Qian; Mamat, Mamatrishat; Cao, Haibin; Yang, Guang; Jing, Qun

2018-07-01

The finite-field methods can be used to intuitively learn about the optical response and find out the atomic contributions to the birefringence and SHG tensors. In this paper, the linear and second-order nonlinear optical properties of ABe2BO3F2 family (A = K, Rb, Cs) compounds are investigated using the finite-field methods within different exchange-correlation functionals. The results show that the obtained birefringence and SHG tensors are in good agreement with the experimental values. The atomic contribution to the total birefringence was further investigated using the variation of the atomic charges, and the Born effective charges. The results show that the boron-oxygen groups give main contribution to the anisotropic birefringence.

40 CFR 721.3032 - Boric acid (H3BO2), zinc salt.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Boric acid (H3BO2), zinc salt. 721... Substances § 721.3032 Boric acid (H3BO2), zinc salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as boric acid (H3BO2), zinc salt (PMN P-97-553...

40 CFR 721.3032 - Boric acid (H3BO2), zinc salt.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Boric acid (H3BO2), zinc salt. 721... Substances § 721.3032 Boric acid (H3BO2), zinc salt. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as boric acid (H3BO2), zinc salt (PMN P-97-553...

The effect of B 2O 3 addition on the crystallization of amorphous TiO 2-ZrO 2 mixed oxide

NASA Astrophysics Data System (ADS)

Mao, Dongsen; Lu, Guanzhong

2007-02-01

The effect of B 2O 3 addition on the crystallization of amorphous TiO 2-ZrO 2 mixed oxide was investigated by X-ray diffraction (XRD), thermogravimetric and differential thermal analysis (TG/DTA). TiO 2-ZrO 2 mixed oxide was prepared by co-precipitation method with aqueous ammonia as the precipitation reagent. Boric acid was used as a source of boria, and boria contents varied from 2 to 20 wt%. The results indicate that the addition of small amount of boria (<8 wt%) hinders the crystallization of amorphous TiO 2-ZrO 2 into a crystalline ZrTiO 4 compound, while a larger amount of boria (⩾8 wt%) promotes the crystallization process. FT-IR spectroscopy and 11B MAS NMR results show that tetrahedral borate species predominate at low boria loading, and trigonal borate species increase with increasing boria loading. Thus it is concluded that highly dispersed tetrahedral BO 4 units delay, while a build-up of trigonal BO 3 promote, the crystallization of amorphous TiO 2-ZrO 2 to form ZrTiO 4 crystals.

Ba2Mg(BO3)2:Bi3+ - A new phosphor with ultraviolet light emission

NASA Astrophysics Data System (ADS)

Lakshminarasimhan, N.; Jayakiruba, S.; Prabhavathi, K.

2017-10-01

Ultraviolet light emission was observed in a new Ba2Mg(BO3)2:Bi3+ phosphor. Bi3+ substitution for Ba2+ in the lattice was supplemented with K+ to maintain the charge neutrality. The samples of the formula Ba2-2xBixKxMg(BO3)2 [x = 0, 0.001, 0.01, 0.02, and 0.05] synthesized by solid state reaction were characterized using powder X-ray diffraction for their phase formation. Raman and diffuse reflectance UV-Vis spectroscopic techniques were used to obtain information on the vibrational modes and optical properties, respectively. The room temperature photoluminescence measurements revealed an ultraviolet emission at 370 nm when excited using 304 nm wavelength and the Stokes shift is 5868 cm-1.

Er3+-doped transparent glass ceramics containing micron-sized SrF2 crystals for 2.7 μm emissions

PubMed Central

Jiang, Yiguang; Fan, Jintai; Jiang, Benxue; Mao, Xiaojian; Tang, Junzhou; Xu, Yinsheng; Dai, Shixun; Zhang, Long

2016-01-01

Er3+-doped transparent glass ceramics containing micron-sized SrF2 crystals were obtained by direct liquid-phase sintering of a mixture of SrF2 powders and precursor glass powders at 820 °C for 15 min. The appearance and microstructural evolution of the SrF2 crystals in the resulting glass ceramics were investigated using X-ray diffraction, field-emission scanning electron microscopy and transmission microscopy. The SrF2 crystals are ~15 μm in size and are uniformly distributed throughout the fluorophosphate glass matrix. The glass ceramics achieve an average transmittance of 75% in the visible region and more than 85% in the near-IR region. The high transmittance of the glass ceramics results from matching the refractive index of the SrF2 with that of the precursor glass. Energy dispersive spectroscopy, photoluminescence spectra, and photoluminescence lifetimes verified the incorporation of Er3+ into the micron-sized SrF2 crystals. Intense 2.7 μm emissions due to the 4I11/2 → 4I13/2 transition were observed upon excitation at 980 nm using a laser diode. The maximum value of the emission cross section of Er3+ around 2.7 μm is more than 1.2 × 10−20 cm2, which indicates the potential of using transparent glass ceramics containing micron-sized SrF2 crystals for efficient 2.7 μm lasers and amplifiers. PMID:27430595

Er(3+)-doped transparent glass ceramics containing micron-sized SrF2 crystals for 2.7 μm emissions.

PubMed

Jiang, Yiguang; Fan, Jintai; Jiang, Benxue; Mao, Xiaojian; Tang, Junzhou; Xu, Yinsheng; Dai, Shixun; Zhang, Long

2016-07-19

Er(3+)-doped transparent glass ceramics containing micron-sized SrF2 crystals were obtained by direct liquid-phase sintering of a mixture of SrF2 powders and precursor glass powders at 820 °C for 15 min. The appearance and microstructural evolution of the SrF2 crystals in the resulting glass ceramics were investigated using X-ray diffraction, field-emission scanning electron microscopy and transmission microscopy. The SrF2 crystals are ~15 μm in size and are uniformly distributed throughout the fluorophosphate glass matrix. The glass ceramics achieve an average transmittance of 75% in the visible region and more than 85% in the near-IR region. The high transmittance of the glass ceramics results from matching the refractive index of the SrF2 with that of the precursor glass. Energy dispersive spectroscopy, photoluminescence spectra, and photoluminescence lifetimes verified the incorporation of Er(3+) into the micron-sized SrF2 crystals. Intense 2.7 μm emissions due to the (4)I11/2 → (4)I13/2 transition were observed upon excitation at 980 nm using a laser diode. The maximum value of the emission cross section of Er(3+) around 2.7 μm is more than 1.2 × 10(-20) cm(2), which indicates the potential of using transparent glass ceramics containing micron-sized SrF2 crystals for efficient 2.7 μm lasers and amplifiers.

Charge ordering and multiferroicity in Fe{sub 3}BO{sub 5} and Fe{sub 2}MnBO{sub 5} oxyborates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maignan, A., E-mail: antoine.maignan@ensicaen.fr; Lainé, F.; Guesdon, A.

2017-02-15

The comparison of Fe{sub 3}BO{sub 5} and Fe{sub 2}MnBO{sub 5} reveals that the 2Fe{sup 2+}: Fe{sup 3+} charge ordering of the former is suppressed in the latter. Spin dynamics probed by ac susceptibility are strongly affected by the substitution, inducing superparamagnetism at low temperature in Fe{sub 2}MnBO{sub 5}. Interestingly, for both oxyborates, glassiness is observed in the dielectric properties at low temperature, but only Fe{sub 3}BO{sub 5} shows a magnetodielectric effect close to its lower magnetic transition. A change in the electrical polarization, measured by pyroelectric current integration, is observed in Fe{sub 3}BO{sub 5} and is even more pronounced inmore » Fe{sub 2}MnBO{sub 5}. Such results suggest that these oxyborates behave like antiferromagnetic relaxor ferroelectrics. These features are proposed to be related to the distribution of the species (Fe{sup 3+}, Fe{sup 2+} and Mn{sup 2+}) over the four transition metal sites forming the ludwigite structure. - Graphical abstract: 90 K [010] electron diffraction patterns of Fe{sub 3}BO{sub 5}. The yellow arrows in the pattern indicate the extra-spots corresponding to the superstructure induced by the charge ordering. - Highlights: • The TEM (ED) study of the Fe{sub 3}BO{sub 5} oxyborate at 90 K reveals a superstructure related to a Fe{sup 2+}/Fe{sup 3+} ordering. • The Fe{sub 2}MnBO{sub 5}, Mn-substituted counterpart, does not show such ordering. • Our magnetic and electric measurements demonstrate that these magnetic ferrites exhibit glassiness in their charges (relaxor-type) with additional superparamagnetism at low T for Fe{sub 2}MnBO{sub 5} and magnetodielectric coupling near T{sub N2}=72 K in Fe{sub 3}BO{sub 5}. • The pyroelectric measurements confirm the existence of a ferroelectric behavior in these antiferromagnets. Accordingly, our results open the route to the study of other large class of the M{sub 2}{sup 2+}M’{sup 3+}BO{sub 5} ludwigites and to their complex magnetism and

Broadband near-infrared downconversion luminescence in Yb3+-doped BaZn2(BO3)2

NASA Astrophysics Data System (ADS)

Yu, Hua; Deng, Degang; Su, Weitao; Li, Chenxia; Xu, Shiqing

2018-06-01

BaZn2(BO3)2 self-activated phosphors were prepared by the conventional high temperature solid-state method. The PL spectra of BaZn2(BO3)2 powders prepared under reductive and air atmosphere consist of a weak ultraviolet emission band (∼410 nm) and a broad emission band which were centered at ∼ 500 and 545 nm, respectively. According to the spectral analysis and EPR results, the green and yellow emissions may arise from the transitions of photo-generated electron close to the conduction band to the deeply trapped hole in single ionized oxygen vacancy (V+ o) centers and single negatively charged interstitial oxygen ion (O- i), respectively. An efficient broadband near-infrared (NIR) quantum cutting was demonstrated in Yb3+ doped BaZn2(BO3)2 phosphor. Upon excitation with an ultraviolet photon at 375 nm, the emissions of two NIR photons at 983 nm from Yb3+ ions were achieved. The dependences of the visible and NIR emissions, the decay lifetime, the energy transfer efficiency, and the quantum efficiency on the Yb3+ doping content were investigated in detail. The results indicated that the maximum energy transfer and the corresponding downconversion quantum efficiency could reach between 68.5% and 168.5%.

Fluoride ion donor properties of cis-OsO(2)F(4): synthesis, raman spectroscopic study, and X-ray crystal structure of [OsO(2)F(3)][Sb(2)F(11)].

PubMed

Hughes, Michael J; Mercier, Hélène P A; Schrobilgen, Gary J

2010-01-04

The salt, [OsO(2)F(3)][Sb(2)F(11)], has been synthesized by dissolution of cis-OsO(2)F(4) in liquid SbF(5), followed by removal of excess SbF(5) at 0 degrees C to yield orange, crystalline [OsO(2)F(3)][Sb(2)F(11)]. The X-ray crystal structure (-173 degrees C) consists of an OsO(2)F(3)(+) cation fluorine bridged to an Sb(2)F(11)(-) anion. The light atoms of OsO(2)F(3)(+) and the bridging fluorine atom form a distorted octahedron around osmium in which the osmium atom is displaced from its center toward an oxygen atom and away from the trans-fluorine bridge atom. As in other transition metal dioxofluorides, the oxygen ligands are cis to one another and the fluorine bridge atom is trans to an oxygen ligand and cis to the remaining oxygen ligand. The Raman spectrum (-150 degrees C) of solid [OsO(2)F(3)][Sb(2)F(11)] was assigned on the basis of the ion pair observed in the low-temperature crystal structure. Under dynamic vacuum, [OsO(2)F(3)][Sb(2)F(11)] loses SbF(5), yielding the known [mu-F(OsO(2)F(3))(2)][Sb(2)F(11)] salt with no evidence for [OsO(2)F(3)][SbF(6)] formation. Attempts to synthesize [OsO(2)F(3)][SbF(6)] by the reaction of [OsO(2)F(3)][Sb(2)F(11)] with an equimolar amount of cis-OsO(2)F(4) or by a 1:1 stoichiometric reaction of cis-OsO(2)F(4) with SbF(5) in anhydrous HF yielded only [mu-F(OsO(2)F(3))(2)][Sb(2)F(11)]. Quantum-chemical calculations at the SVWN and B3LYP levels of theory and natural bond orbital analyses were used to calculate the gas-phase geometries, vibrational frequencies, natural population analysis charges, bond orders, and valencies of OsO(2)F(3)(+), [OsO(2)F(3)][Sb(2)F(11)], [OsO(2)F(3)][SbF(6)], and Sb(2)F(11)(-). The relative thermochemical stabilities of [OsO(2)F(3)][SbF(6)], [OsO(2)F(3)][Sb(2)F(11)], [OsO(2)F(3)][AsF(6)], [mu-F(OsO(2)F(3))(2)][SbF(6)], [mu-F(OsO(2)F(3))(2)][Sb(2)F(11)], and [mu-F(OsO(2)F(3))(2)][AsF(6)] were assessed using the appropriate Born-Haber cycles to account for the preference for [mu-F(OsO(2)F(3))(2

Single crystals of the fluorite nonstoichiometric phase Eu{0.916/2+}Eu{0.084/3+}F2.084 (conductivity, transmission, and hardness)

NASA Astrophysics Data System (ADS)

Sobolev, B. P.; Turkina, T. M.; Sorokin, N. I.; Karimov, D. N.; Komar'kova, O. N.; Sulyanova, E. A.

2010-07-01

The nonstoichiometric phase EuF2+ x has been obtained via the partial reduction of EuF3 by elementary Si at 900-1100°C. Eu{0.916/2+}Eu{0.084/3+}F2.084 (EuF2.084) single crystals have been grown from melt by the Bridgman method in a fluorinating atmosphere. These crystals belong to the CaF2 structure type (sp. gr. Fm bar 3 m) with the cubic lattice parameter a = 5.8287(2) Å, are transparent in the spectral range of 0.5-11.3 μm, and have microhardness H μ = 3.12 ± 0.13 GPa and ionic conductivity σ = 1.4 × 10-5 S/cm at 400°C with the ion transport activation energy E a = 1.10 ± 0.05 eV. The physicochemical characteristics of the fluorite phases in the EuF2 - EuF3 systems are similar to those of the phases in the SrF2 - EuF3 and SrF2 - GdF3 systems due to the similar lattice parameters of the EuF2 and SrF2 components. Europium difluoride supplements the list of fluorite components MF2 ( M = Ca, Sr, Ba, Cd, Pb), which are crystal matrices for nonstoichiometric (nanostructured) fluoride materials M 1 - x R x F2 + x ( R are rare earth elements).

“Ni{sub 5}TiO{sub 7}” is Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nalbandyan, V.B.

2017-05-15

It is shown that the compound known as Ni{sub 5}TiO{sub 7} and considered as a promising catalyst and oxidation product of alloys does not exist and its XRD pattern actually corresponds to Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2} - Graphical abstract: XRD pattern of “Ni{sub 5}TiO{sub 7}” (top) is identical to that for Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2} (bottom) based on single-crystal structural data. - Highlights: • Popular catalyst known as Ni{sub 5}TiO{sub 7} is actually Ni{sub 5}TiO{sub 4}(BO{sub 3}){sub 2}. • B{sub 2}O{sub 3} came from the flux used for crystal growth. • Some authors reporting this phase did notmore » use any boron compounds.« less

TL and PL studies on cubic fluoroperovskite single crystal (KMgF3: Eu2+, Ce3+)

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Madhusoodanan, U.; Annalakshmi, O.; Ramasamy, P.

2014-04-01

The perovskite-like KMgF3 polycrystalline compounds were synthesized by standard solid state reaction technique. Phase purity of the synthesized compounds was analyzed by powder X-ray diffraction technique. Single crystals of (0.2 mol% of EuF3 and CeF3) Co-doped KMgF3 have been grown from melt by using a vertical Bridgman-Stockbarger method. Thermoluminescence (TL) characteristics of KMgF3 samples doped with Eu2+ and Ce3+ have been studied after β-ray irradiation. At ambient conditions the photoluminescence spectra consisted of sharp line peaked of Eu2+ at 360 nm attributed to the f → f transition (6P7/2→8S7/2) could only be observed due to the energy transfer from Ce3+ to Eu2+.

Efficient continuous-wave and passively Q-switched pulse laser operations in a diffusion-bonded sapphire/Er:Yb:YAl3(BO3)4/sapphire composite crystal around 1.55 μm.

PubMed

Chen, Yujin; Lin, Yanfu; Huang, Jianhua; Gong, Xinghong; Luo, Zundu; Huang, Yidong

2018-01-08

A composite crystal consisting of a 1.5-mm-thick Er:Yb:YAl 3 (BO 3 ) 4 crystal between two 1.2-mm-thick sapphire crystals was fabricated by the thermal diffusion bonding technique. Compared with a lone Er:Yb:YAl 3 (BO 3 ) 4 crystal measured under the identical experimental conditions, higher laser performances were demonstrated in the sapphire/Er:Yb:YAl 3 (BO 3 ) 4 /sapphire composite crystal due to the reduction of the thermal effects. End-pumped by a 976 nm laser diode in a hemispherical cavity, a 1.55 μm continuous-wave laser with a maximum output power of 1.75 W and a slope efficiency of 36% was obtained in the composite crystal when the incident pump power was 6.54 W. Passively Q-switched by a Co 2+ :MgAl 2 O 4 crystal, a 1.52 μm pulse laser with energy of 10 μJ and repetition frequency of 105 kHz was also realized in the composite crystal. Pulse width was 315 ns. The results show that the sapphire/Er:Yb:YAl 3 (BO 3 ) 4 /sapphire composite crystal is an excellent active element for 1.55 μm laser.

Optical spectroscopy of low-phonon Ho3+ doped BaY2F8 single crystal

NASA Astrophysics Data System (ADS)

Li, Chun; Zeng, Fanming; Lin, Hai; Zheng, Dongyang; Yang, Xiaodong; Liu, Wang; Liu, Jinghe

2014-12-01

The Ho:BaY2F8 crystal was grown by Czochralski method. The crystal phase structure and absorption spectra were tested, the absorption peak exists near 899 nm, the absorption cross section was 1.27 × 10-21 cm2. The emission spectra of crystals in the vicinity of 2 and 3.9 μm were measured, the 2 μm near infrared light induced by 5I7 → 5I8 transition of Ho3+ ions was observed, as well as the fluorescence output at 3.9 μm (5I5 → 5I6), emission cross section at 3.9 μm was calculated to be 0.86 × 10-21 cm2. We suppose that the Ho:BaY2F8 crystal has a large application prospect for the 2-4 μm wavelength near infrared laser.

Manganese Vanadate Chemistry in Hydrothermal BaF 2 Brines: Ba 3 Mn 2 (V 2 O 7 ) 2 F 2 and Ba 7 Mn 8 O 2 (VO 4 ) 2 F 23

DOE PAGES

Sanjeewa, Liurukara D.; McMillen, Colin D.; McGuire, Michael A.; ...

2016-12-05

We synthesized manganese vanadate fluorides using high-temperature hydrothermal techniques with BaF 2 as a mineralizer. Ba 3Mn 2(V 2O 7) 2F 2 crystallizes in space group C2/c and consists of dimers built from edge-sharing MnO 4F 2 trigonal prisms with linking V 2O 7 groups. Ba 7Mn 8O 2(VO 4) 2F 23 crystallizes in space group Cmmm, with a manganese oxyfluoride network built from edge- and corner-sharing Mn 2+/3+(O,F) 6 octahedra. The resulting octahedra form alternating Mn 2+ and Mn 2+/3+ layers separated by VO 4 tetrahedra. This latter compound exhibits a canted antiferromagnetic order below TN = 25 K.

Highly efficient continuous-wave laser operation of LD-pumped Nd,Gd:CaF2 and Nd,Y:CaF2 crystals

NASA Astrophysics Data System (ADS)

Pang, Siyuan; Ma, Fengkai; Yu, Hao; Qian, Xiaobo; Jiang, Dapeng; Wu, Yongjing; Zhang, Feng; Liu, Jie; Xu, Jiayue; Su, Liangbi

2018-05-01

Spectroscopic properties of Nd:CaF2 crystals are investigated. The photoluminescence intensity in the near infrared region is drastically enhanced by co-doping Gd3+ ions and Y3+ in Nd:CaF2 crystals. Preliminary laser experiments are carried out with 0.3%Nd,5%Gd:CaF2 and 0.3%Nd,5%Y:CaF2 crystals under laser diode pumping; true continuous wave laser operation is achieved with slope efficiencies of 42% and 39%, respectively, and the maximum output power reaches 1.188 W.

Glycosylated SV2 and Gangliosides as Dual Receptors for Botulinum Neurotoxin Serotype F

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Zhuji; Chen, Chen; Barbieri, Joseph T.

2010-02-22

Botulinum neurotoxin causes rapid flaccid paralysis through the inhibition of acetylcholine release at the neuromuscular junction. The seven BoNT serotypes (A-G) have been proposed to bind motor neurons via ganglioside-protein dual receptors. To date, the structure-function properties of BoNT/F host receptor interactions have not been resolved. Here, we report the crystal structures of the receptor binding domains (HCR) of BoNT/A and BoNT/F and the characterization of the dual receptors for BoNT/F. The overall polypeptide fold of HCR/A is essentially identical to the receptor binding domain of the BoNT/A holotoxin, and the structure of HCR/F is very similar to that ofmore » HCR/A, except for two regions implicated in neuronal binding. Solid phase array analysis identified two HCR/F binding glycans: ganglioside GD1a and oligosaccharides containing an N-acetyllactosamine core. Using affinity chromatography, HCR/F bound native synaptic vesicle glycoproteins as part of a protein complex. Deglycosylation of glycoproteins using {alpha}(1-3,4)-fucosidase, endo-{beta}-galactosidase, and PNGase F disrupted the interaction with HCR/F, while the binding of HCR/B to its cognate receptor, synaptotagmin I, was unaffected. These data indicate that the HCR/F binds synaptic vesicle glycoproteins through the keratan sulfate moiety of SV2. The interaction of HCR/F with gangliosides was also investigated. HCR/F bound specifically to gangliosides that contain {alpha}2,3-linked sialic acid on the terminal galactose of a neutral saccharide core (binding order GT1b = GD1a GM3; no binding to GD1b and GM1a). Mutations within the putative ganglioside binding pocket of HCR/F decreased binding to gangliosides, synaptic vesicle protein complexes, and primary rat hippocampal neurons. Thus, BoNT/F neuronal discrimination involves the recognition of ganglioside and protein (glycosylated SV2) carbohydrate moieties, providing a structural basis for the high affinity and specificity of BoNT/F for

40 CFR 721.3031 - Boric acid (H3BO3), zinc salt (2=3).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Boric acid (H3BO3), zinc salt (2=3). 721.3031 Section 721.3031 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3031 Boric acid (H3BO...

40 CFR 721.3031 - Boric acid (H3BO3), zinc salt (2=3).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Boric acid (H3BO3), zinc salt (2=3). 721.3031 Section 721.3031 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3031 Boric acid (H3BO...

40 CFR 721.3031 - Boric acid (H3BO3), zinc salt (2=3).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Boric acid (H3BO3), zinc salt (2=3). 721.3031 Section 721.3031 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3031 Boric acid (H3BO...

Synthesis of Organotitanium(IV) Fluoride Phosphates and the Crystal Structure of [(C5Me4Et)TiF(µ-F){µ-O2P(OSiMe3)2}]2.

PubMed

Pevec, Andrej; Demšar, Alojz; Pinkas, Jiri; Necas, Marek

2012-03-01

The complexes [(C5Me4R)TiF(µ-F)µ-O2P(OSiMe3)2]2 [R = Me (1), Et (2)] were prepared from [(C5Me4R)TiF3]2, (R = Me, Et) and OP(OSiMe3)3. The molecular structure of 2 has been determined by single-crystal X-ray diffraction analysis. An eight-membered Ti2O4P2 metallacycle bridged by two fluorine ligands between two titanium centers is observed.

Combustion synthesis and luminescence properties of yellow-emitting phosphors Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xia, Zhiguo, E-mail: xiazg426@yahoo.com.cn; Liao, Libing, E-mail: lbliao@cugb.edu.cn; Zhang, Zepeng

2012-02-15

Graphical abstract: A yellow-emitting phosphor Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} was firstly synthesized by the solution-combustion method. The photoluminescence excitation and emission spectra, temperature dependence of luminescence intensity, and luminescence lifetime of the phosphor were investigated. Highlights: Black-Right-Pointing-Pointer Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} phosphor was synthesized by a solution-combustion method. Black-Right-Pointing-Pointer Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} showed an intense yellow emission band centered at 569 nm with the CIE coordinate of (0.453, 0.526). Black-Right-Pointing-Pointer The temperature dependent luminescence property and mechanism of Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} were studied. -- Abstract: Yellow-emitting phosphor Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} was synthesized by a solution-combustion method. Themore » phase structure and microstructure were determined by the X-ray diffraction (XRD) and scanning electron microscope (SEM) analysis, respectively. The as-prepared Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} phosphor absorbed near ultraviolet and blue light of 320-500 nm, and showed an intense yellow emission band centered at 569 nm with the CIE coordinate of (0.453, 0.526). The lifetime of Eu{sup 2+} ions in Ca{sub 2}BO{sub 3}Cl:Eu{sup 2+} phosphor was measured, furthermore the temperature dependent luminescence property and mechanism were studied, which also testified that the present phosphor had a promising potential for white light-emitting diodes.« less

Thermoluminescence dosimetric characteristics on cubic fluoroperovskite single crystal (KMgF3:Eu2+, Ce3+)

NASA Astrophysics Data System (ADS)

Joseph Daniel, D.; Madhusoodanan, U.; Annalakshmi, O.; Jose, M. T.; Ramasamy, P.

2015-07-01

This paper describes investigation of thermoluminescence radiation dosimetry characteristics of Eu2+ doped Potassium Magnesium Fluoride (KMgF3) single crystal co-doped with Ce3+ ions. The perovskite-like KMgF3 polycrystalline compounds were synthesized by standard solid state reaction technique. Phase purity of the synthesized compounds was analyzed by powder X-ray diffraction technique. Single crystals of KMgF3 have been grown from melt by using a vertical Bridgman-Stockbarger method. Thermoluminescence (TL) characteristics of KMgF3 samples doped with Eu2+ and Ce3+ have been studied after β-ray irradiation at room temperature. Order of kinetics (b), activation energy (E), and frequency factor (s) were determined by Chen's method and variable heating rate method. Results show that the TL glow peak of the KMgF3 samples obeys second-order kinetics. Analysis of the main dosimetric peak by using the methods mentioned above revealed that activation energy (E) is about 1.2 eV and the frequency factor (s) is in the range 1010-1011 s-1. The TL glow curve structure of the sample remained stable for higher doses of 90Sr/90Y beta source and it shows linearity up to 180 Gy. The time dependent fading behavior of the TL characteristics has also been investigated and is found to be quite stable over long time duration. The characteristic Eu2+ emissions are observed in the TL emission spectra.

Thermal, spectroscopic properties and laser performance at 1.06 and 1.33 μm of Nd : Ca 4YO(BO 3) 3 and Nd : Ca 4GdO(BO 3) 3 crystals

NASA Astrophysics Data System (ADS)

Wang, Changqing; Zhang, Huaijin; Meng, Xianlin; Zhu, Li; Chow, Y. T.; Liu, Xuesong; Cheng, Ruiping; Yang, Zhaohe; Zhang, Shaojun; Sun, Lianke

2000-11-01

Nd : Ca 4YO(BO 3) 3 (Nd : YCOB) and Nd : Ca 4GdO(BO 3) 3 (Nd : GdCOB) crystals were grown by Czochralski method. Thermal expansion and specific heat of these two crystals were experimentally determined. Their fluorescence spectra were measured within the range from 1000 to 1500 nm. Laser output experiments at 1.06 and 1.33 μm of Nd : YCOB and Nd : GdCOB crystals were performed with a cw Ti : sapphire laser as the pump source.

Formation of metal nanoparticles in MgF2, CaF2 and BaF2 crystals under the electron beam irradiation

NASA Astrophysics Data System (ADS)

Bochkareva, Elizaveta S.; Sidorov, Alexander I.; Yurina, Uliana V.; Podsvirov, Oleg A.

2017-07-01

It is shown experimentally that electron beam action with electrons energies of 50 and 70 keV on MgF2, CaF2 and BaF2 crystals results in local formation in the crystal near-surface layer of Mg, Ca or Ba nanoparticles which possess plasmon resonance. In the case of MgF2 spheroidal nanoparticles are formed, in the cases of CaF2 and BaF2 - spherical. The formation of metal nanoparticles is confirmed by computer simulation in dipole quasistatic approximation. The dependence of absorption via electron irradiation dose is non-linear. It is caused by the increase of nanoparticles concentration and by the increase of nanoparticles sizes during irradiation. In the irradiated zones of MgF2 crystals, for irradiation doses less than 80 mC/cm2, the intense luminescence in a visible range appears. The practical application of fabricated composite materials for multilevel optical information recording is discussed.

AgPO2F2 and Ag9(PO2F2)14: the first Ag(i) and Ag(i)/Ag(ii) difluorophosphates with complex crystal structures.

PubMed

Malinowski, Przemysław J; Kurzydłowski, Dominik; Grochala, Wojciech

2015-12-07

The reaction of AgF2 with P2O3F4 yields a mixed valence Ag(I)/Ag(II) difluorophosphate salt with AgAg(PO2F2)14 stoichiometry - the first Ag(ii)-PO2F2 system known. This highly moisture sensitive brown solid is thermally stable up to 120 °C, which points at further feasible extension of the chemistry of Ag(ii)-PO2F2 systems. The crystal structure shows a very complex bonding pattern, comprising of polymeric Ag(PO2F2)14(4-) anions and two types of Ag(I) cations. One particular Ag(II) site present in the crystal structure of Ag9(PO2F2)14 is the first known example of square pyramidal penta-coordinated Ag(ii) in an oxo-ligand environment. Ag(i)PO2F2 - the product of the thermal decomposition of Ag9(PO2F2)14 - has also been characterized by thermal analysis, IR spectroscopy and X-ray powder diffraction. It has a complicated crystal structure as well, which consists of infinite 1D [Ag(I)O4/2] chains which are linked to more complex 3D structures via OPO bridges. The PO2F2(-) anions bind to cations in both compounds as bidentate oxo-ligands. The terminal F atoms tend to point inside the van der Waals cavities in the crystal structure of both compounds. All important structural details of both title compounds were corroborated by DFT calculations.

PbF2-based single crystals and phase diagrams of PbF2-MF2 systems (M = Mg, Ca, Sr, Ba, Cd)

NASA Astrophysics Data System (ADS)

Buchinskaya, I. I.; Fedorov, Pavel P.; Sobolev, B. P.

1997-07-01

Optical grade single crystals of Pb0.67Cd0.33F2 and Pb1-xCaxF2 (x less than 0.05) were grown by the Bridgman technique in graphite crucibles under fluorinating atmosphere of teflon pyrolysis products. For determinations of concentration areas of solid solutions, suitable for crystal growth, the phase interactions in the systems PbF2 with fluorides of alkaline-earth elements and Cd were studied by DTA and x-ray powder diffraction techniques. Phase diagrams were described by corresponding thermodynamic models. Transition from pure PbF2 to two- component Pb0.67Cd0.33F2 crystal is accompanied by some increase in radiation hardness of the latter and positive changes of mechanical characteristics (the Pb0.67Cd0.33F2 composition microhardness is 147 plus or minus 5 kg/mm2 that is 5 times that of a pure lead fluoride, 28 plus or minus 4 kg/mm2). These solid solutions have a cubic Fm3m fluorite-type lattice as a high-temperature modification of PbF2.

40 CFR 721.3032 - Boric acid (H3BO2), zinc salt.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Boric acid (H3BO2), zinc salt. 721.3032 Section 721.3032 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3032 Boric acid (H3BO2),...

40 CFR 721.3032 - Boric acid (H3BO2), zinc salt.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Boric acid (H3BO2), zinc salt. 721.3032 Section 721.3032 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3032 Boric acid (H3BO2),...

40 CFR 721.3032 - Boric acid (H3BO2), zinc salt.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Boric acid (H3BO2), zinc salt. 721.3032 Section 721.3032 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.3032 Boric acid (H3BO2),...

Concentration quenching of Eu{sup 2+} doped Ca{sub 2}BO{sub 3}Cl

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seed Ahmed, H.A.A.; Department of Physics, University of Khartoum, Khartoum; Swart, H.C.

2016-03-15

Highlights: • Ca{sub 2}BO{sub 3}Cl doped with Eu{sup 2+} prepared by solid state reaction. • Concentration quenching studied by intensity and lifetime measurements. • Accurate determination of the critical transfer distance. • Interaction mechanism verified to be dipole–dipole interactions. - Abstract: With the aim of determining the concentration quenching mechanism of Eu{sup 2+} doped Ca{sub 2}BO{sub 3}Cl, a series of phosphors with a varied Eu{sup 2+} concentration (Ca{sub 2−x}BO{sub 3}Cl:xEu{sup 2+}) was synthesized by the solid state reaction method. The phase structure was determined by X-ray diffraction. Photoluminescence (PL) measurements showed broad excitation and emission signatures of the allowed f–dmore » transition of Eu{sup 2+} ions. The PL emission intensity was found to be increased by increasing the concentration of Eu{sup 2+} ions up to x = 0.03 and then decreased as a result of the concentration quenching effect. The lifetime of the emission from the Eu{sup 2+} ions was measured and the decrease in the lifetime with increasing Eu{sup 2+} concentration confirmed that non-radiative energy transfer occurred between Eu{sup 2+} ions. From the luminescence data, the value of the critical transfer distance was calculated as 1.5 nm and the corresponding concentration quenching mechanism was verified to be a dipole–dipole interaction.« less

Evolution of the mössbauer spectra of ludwigite Co3 - x Fe x O2BO3 with substitution of iron for cobalt

NASA Astrophysics Data System (ADS)

Knyazev, Yu. V.; Ivanova, N. B.; Bayukov, O. A.; Kazak, N. V.; Bezmaternykh, L. N.; Vasiliev, A. D.

2013-06-01

A concentration series of single crystals of iron-cobalt ludwigites Co3 - x Fe x O2BO3 ( x = 0.0125, 0.025, 0.050, 0.10, 1.0) has been synthesized. The structure has been studied using X-ray diffraction and Mössbauer effect. A preferred occupation of nonequivalent crystallographic positions by iron in the ludwigite structure has been revealed. It has been found that the valence of substituting iron ions is three. It has been revealed that the structure of the γ-resonance spectrum of Co2FeO2BO3 is complicated due to a composition disorder in the system.

Understanding Complex Tribofilms by Means of H3BO3-B2O3 Model Glasses.

PubMed

Spadaro, F; Rossi, A; Ramakrishna, Shivaprakash N; Lainé, E; Woodward, P; Spencer, N D

2018-02-13

The discovery of the spontaneous reaction of boric oxides with moisture in the air to form lubricious H 3 BO 3 films has led to great interest in the tribology of boron compounds in general. Despite this, a study of the growth kinetics of H 3 BO 3 on a B 2 O 3 substrate under controlled relative humidity (RH) has not yet been reported in the literature. Here, we describe the tribological properties of H 3 BO 3 -B 2 O 3 glass systems after aging under controlled RH over different lengths of time. A series of tribological tests has been performed applying a normal load of 15 N, at both room temperature and 100 °C in YUBASE 4 oil. In addition, the cause of H 3 BO 3 film failure under high-pressure and high-temperature conditions has been studied to find out whether the temperature, the tribostress, or both influence the removal of the lubricious film from the contact points. The following techniques were exploited: confocal Raman spectroscopy to characterize the structure and chemical nature of the glass systems, environmental scanning electron microscopy to examine the morphology of the H 3 BO 3 films developed, atomic force microscopy to monitor changes in roughness as a consequence of the air exposure, focused-ion-beam scanning electron microscopy to measure the average thickness of the H 3 BO 3 films grown over various times on B 2 O 3 glass substrates and to reveal the morphology of the sample in the vertical section, tribological tests to shed light on the system's lubricating properties, and finally small-area X-ray photoelectron spectroscopy to investigate the composition of the transfer film formed on the steel ball while tribotesting.

Syntheses and multi-NMR study of fac- and mer-OsO(3)F(2)(NCCH(3)) and the X-ray crystal structure (n = 2) and Raman spectrum (n = 0) of fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN.

PubMed

Hughes, Michael J; Gerken, Michael; Mercier, Hélène P A; Schrobilgen, Gary J

2010-06-07

Dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in CH(3)CN solvent at -40 degrees C followed by solvent removal under vacuum at -40 degrees C yielded fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN (n >/= 2). Continued pumping at -40 degrees C with removal of uncoordinated CH(3)CN yielded fac-OsO(3)F(2)(NCCH(3)). Both fac-OsO(3)F(2)(NCCH(3)).nCH(3)CN and fac-OsO(3)F(2)(NCCH(3)) are yellow-brown solids and were characterized by low-temperature (-150 degrees C) Raman spectroscopy. The crystal structure (-173 degrees C) of fac-OsO(3)F(2)(NCCH(3)).2CH(3)CN consists of two co-crystallized CH(3)CN molecules and a pseudo-octahedral OsO(3)F(2).NCCH(3) molecule in which three oxygen atoms are in a facial arrangement and CH(3)CN is coordinated trans to an oxygen atom in an end-on fashion. The Os---N bond length (2.205(3) A) is among the shortest M---N adduct bonds observed for a d(0) transition metal oxide fluoride. The (19)F NMR spectrum of (OsO(3)F(2))(infinity) in CH(3)CN solvent (-40 degrees C) is a singlet (-99.6 ppm) corresponding to fac-OsO(3)F(2)(NCCH(3)). The (1)H, (15)N, (13)C, and (19)F NMR spectra of (15)N-enriched OsO(3)F(2)(NCCH(3)) were recorded in SO(2)ClF solvent (-84 degrees C). Nitrogen-15 enrichment resulted in splitting of the (19)F resonance of fac-OsO(3)F(2)((15)NCCH(3)) into a doublet ((2)J((15)N-(19)F), 21 Hz). In addition, a doublet of doublets ((2)J((19)F(ax)-(19)F(eq)), 134 Hz; (2)J((15)N-(19)F(eq)), 18 Hz) and a doublet ((2)J((19)F(ax)-(19)F(eq)), 134 Hz) were observed in the (19)F NMR spectrum that have been assigned to mer-OsO(3)F(2)((15)NCCH(3)); however, coupling of (15)N to the axial fluorine-on-osmium environment could not be resolved. The nitrogen atom of CH(3)CN is coordinated trans to a fluorine ligand in the mer-isomer. Quantum-chemical calculations at the SVWN and B3LYP levels of theory were used to calculate the energy-minimized gas-phase geometries, vibrational frequencies of fac- and mer-OsO(3)F(2)(NCCH(3)) and of CH(3)CN. The

Growth and laser properties of Yb : Ca 4YO(BO 3) 3 crystal

NASA Astrophysics Data System (ADS)

Zhang, Huaijin; Meng, Xianlin; Zhu, Li; Wang, Pu; Liu, Xuesong; Cheng, Ruiping; Dawes, Judith; Dekker, Peter; Zhang, Shaojun; Sun, Lianke

1999-04-01

Yb : Ca 4YO(BO 3) 3 (Yb : YCOB) crystal has been grown by the Czochralski method. The absorption and fluorescence spectra have been measured. The green luminescence is also observed. The output laser at 1032 nm has been demonstrated pumped by laser diode (LD) at 976.4 nm.

Investigation on growth and macro-defects of Er3+-doped BaY2F8 laser crystal

NASA Astrophysics Data System (ADS)

Wang, Shuai; Ruan, Yongfeng; Tsuboi, Taiju; Zhang, Shouchao; Wang, Youfa; Tong, Hongshuang

2013-08-01

Large BaY2F8 and Er3+-doped BaY2F8 single crystals were grown by the temperature gradient method. Three kinds of macro-defects were found in BaY2F8 single crystals. These macro-defects include cracks, growth striations and straight pipes. The morphologies and distribution regularities of these macro-defects were observed and studied using a solid polarization microscope. The formation mechanisms and the methods of eliminating these defects were discussed.

Nd3+, Y3+-codoped SrF2 laser ceramics

NASA Astrophysics Data System (ADS)

Li, Weiwei; Mei, Bingchu; Song, Jinghong

2015-09-01

0.15 at.% Nd3+, 5 at.% Y3+-codoped SrF2 laser ceramic based on single crystal was prepared by extensive plastic deformation. Microstructure, optical and laser properties of the Nd3+, Y3+:SrF2 ceramic were investigated. The lasing of Nd3+, Y3+-codoped SrF2 ceramics with diode pumping have been observed and true CW laser operation around 1057 nm and 1050 nm was obtained with a slope efficiency of 31.9%. In particular, the fracture toughness of the ceramic is 0.98 MPa m1/2, which is approximately two times higher than that of single crystal.

Phase transitions in (NH4)2MoO2F4 crystal

NASA Astrophysics Data System (ADS)

Krylov, Alexander; Laptash, Natalia; Vtyurin, Alexander; Krylova, Svetlana

2016-11-01

The mechanisms of temperature and high pressure phase transitions have been studied by Raman spectroscopy. Room temperature (295 K) experiments under high hydrostatic pressure up to 3.6 GPa for (NH4)2 MoO2 F4 have been carried out. Experimental data indicates a phase transition into a new high-pressure phase for (NH4)2 MoO2 F4 at 1.2 GPa. This phase transition is related to the ordering anion octahedron groups [MoO2 F4]2- and is not associated with ammonium group. Raman spectra of small non-oriented crystals ranging from 10 to 350 K have been observed. The experiment shows anion groups [MoO2 F4]2- and ammonium in high temperature phase are disordered. The phase transition at T1 = 269.8 K is of the first-order, close to the tricritical point. The first temperature phase transition is related to the ordering anion octahedron groups [MoO2 F4]2-. Second phase transitions T2 = 180 K are associated with the ordering of ammonium. The data presented within this study demonstrate that 2D correlation analysis combined with traditional Raman spectroscopy are powerful tool to study phase transitions in the crystals.

The OsO(3)F(+) and mu-F(OsO(3)F)(2)(+) cations: their syntheses and study by Raman and (19)F NMR spectroscopy and electron structure calculations and X-ray crystal structures of [OsO(3)F][PnF(6)] (Pn = As, Sb), [OsO(3)F][HF](2)[AsF(6)], [OsO(3)F][HF][SbF(6)], and [OsO(3)F][Sb(3)F(16)].

PubMed

Gerken, Michael; Dixon, David A; Schrobilgen, Gary J

2002-01-28

The fluoride ion donor properties of OsO(3)F(2) have been investigated. The salts [OsO(3)F][AsF(6)], [OsO(3)F][HF](2)[AsF(6)], mu-F(OsO(3)F)(2)[AsF(6)], [OsO(3)F][HF](2)[SbF(6)], and [OsO(3)F][HF][SbF(6)] have been prepared by reaction of OsO(3)F(2) with AsF(5) and SbF(5) in HF solvent and have been characterized in the solid state by Raman spectroscopy. The single-crystal X-ray diffraction studies of [OsO(3)F][AsF(6)] (P2(1)/n, a = 7.0001(11) A, c = 8.8629(13) A, beta = 92.270(7) degrees, Z = 4, and R(1) = 0.0401 at -126 degrees C), [OsO(3)F][SbF(6)] (P2(1)/c, a = 5.4772(14) A, b = 10.115(3) A, c = 12.234(3) A, beta = 99.321(5) degrees, Z = 4, and R(1) = 0.0325 at -173 degrees C), [OsO(3)F][HF](2)[AsF(6)] (P2(1)/n, a = 5.1491(9) A, b = 8.129(2) A, c = 19.636(7) A, beta = 95.099(7) degrees, Z = 4, and R(1) = 0.0348 at -117 degrees C), and [OsO(3)F][HF][SbF(6)] (Pc, a = 5.244(4) A, b = 9.646(6) A, c = 15.269(10) A, beta = 97.154(13) degrees, Z = 4, and R(1) = 0.0558 at -133 degrees C) have shown that the OsO(3)F(+) cations exhibit strong contacts to the anions and HF solvent molecules giving rise to cyclic, dimeric structures in which the osmium atoms have coordination numbers of 6. The reaction of OsO(3)F(2) with neat SbF(5) yielded [OsO(3)F][Sb(3)F(16)], which has been characterized by (19)F NMR spectroscopy in SbF(5) and SO(2)ClF solvents and by Raman spectroscopy and single-crystal X-ray diffraction in the solid state (P4(1)m, a = 10.076(6) A, c = 7.585(8) A, Z = 2, and R(1) = 0.0858 at -113 degrees C). The weak fluoride ion basicity of the Sb(3)F(16)(-) anion resulted in an OsO(3)F(+) cation (C(3)(v) point symmetry) that is well isolated from the anion and in which the osmium is four-coordinate. The geometrical parameters and vibrational frequencies of OsO(3)F(+), ReO(3)F, mu-F(OsO(3)F)(2)(+), (FO(3)Os--FPnF(5))(2), and (FO(3)Os--(HF)(2)--FPnF(5))(2) (Pn = As, Sb) have been calculated using density functional theory methods.

Structure and crystallization of SiO2 and B2O3 doped lithium disilicate glasses from theory and experiment.

PubMed

Erlebach, Andreas; Thieme, Katrin; Sierka, Marek; Rüssel, Christian

2017-09-27

Solid solutions of SiO 2 and B 2 O 3 in Li 2 O·2SiO 2 are synthesized and characterized for the first time. Their structure and crystallization mechanisms are investigated employing a combination of simulations at the density functional theory level and experiments on the crystallization of SiO 2 and B 2 O 3 doped lithium disilicate glasses. The remarkable agreement of calculated and experimentally determined cell parameters reveals the preferential, kinetically controlled incorporation of [SiO 4 ] and [BO 4 ] at the Li + lattice sites of the Li 2 O·2SiO 2 crystal structure. While the addition of SiO 2 increases the glass viscosity resulting in lower crystal growth velocities, glasses containing B 2 O 3 show a reduction of both viscosities and crystal growth velocities. These observations could be rationalized by a change of the chemical composition of the glass matrix surrounding the precipitated crystal phase during the course of crystallization, which leads to a deceleration of the attachment of building units required for further crystal growth at the liquid-crystal interface.

Synthesis and Physical Properties of the Oxofluoride Cu2(SeO3)F2.

PubMed

Mitoudi-Vagourdi, Eleni; Papawassiliou, Wassilios; Müllner, Silvia; Jaworski, Aleksander; Pell, Andrew J; Lemmens, Peter; Kremer, Reinhard K; Johnsson, Mats

2018-04-16

Single crystals of the new compound Cu 2 (SeO 3 )F 2 were successfully synthesized via a hydrothermal method, and the crystal structure was determined from single-crystal X-ray diffraction data. The compound crystallizes in the orthorhombic space group Pnma with the unit cell parameters a = 7.066(4) Å, b = 9.590(4) Å, and c = 5.563(3) Å. Cu 2 (SeO 3 )F 2 is isostructural with the previously described compounds Co 2 TeO 3 F 2 and CoSeO 3 F 2 . The crystal structure comprises a framework of corner- and edge-sharing distorted [CuO 3 F 3 ] octahedra, within which [SeO 3 ] trigonal pyramids are present in voids and are connected to [CuO 3 F 3 ] octahedra by corner sharing. The presence of a single local environment in both the 19 F and 77 Se solid-state MAS NMR spectra supports the hypothesis that O and F do not mix at the same crystallographic positions. Also the specific phonon modes observed with Raman scattering support the coordination around the cations. At high temperatures the magnetic susceptibility follows the Curie-Weiss law with Curie temperature of Θ = -173(2) K and an effective magnetic moment of μ eff ∼ 2.2 μ B . Antiferromagnetic ordering below ∼44 K is indicated by a peak in the magnetic susceptibility. A second though smaller peak at ∼16 K is tentatively ascribed to a magnetic reorientation transition. Both transitions are also confirmed by heat capacity measurements. Raman scattering experiments propose a structural phase instability in the temperature range 6-50 K based on phonon anomalies. Further changes in the Raman shift of modes at ∼46 K and ∼16 K arise from transitions of the magnetic lattice in accordance with the susceptibility and heat capacity measurements.

TL and PL studies on cubic fluoroperovskite single crystal (KMgF{sub 3}: Eu{sup 2+}, Ce{sup 3+})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Daniel, D. Joseph, E-mail: josephd@ssn.edu.in; Ramasamy, P.; Madhusoodanan, U.

2014-04-24

The perovskite-like KMgF{sub 3} polycrystalline compounds were synthesized by standard solid state reaction technique. Phase purity of the synthesized compounds was analyzed by powder X-ray diffraction technique. Single crystals of (0.2 mol% of EuF{sub 3} and CeF{sub 3}) Co-doped KMgF{sub 3} have been grown from melt by using a vertical Bridgman-Stockbarger method. Thermoluminescence (TL) characteristics of KMgF{sub 3} samples doped with Eu{sub 2+} and Ce{sub 3+} have been studied after β-ray irradiation. At ambient conditions the photoluminescence spectra consisted of sharp line peaked of Eu{sub 2+} at 360 nm attributed to the f → f transition ({sup 6}P{sub 7/2}→{sup 8}S{submore » 7/2}) could only be observed due to the energy transfer from Ce{sub 3+} to Eu{sub 2+}.« less

Disordered Nd:LuYSiO5 crystal lasers operating on the 4F3/2 → 4I11/2 and 4F3/2 → 4I13/2 transitions

NASA Astrophysics Data System (ADS)

Guan, Xiaofeng; Zhou, Zhiyong; Huang, Xiaoxu; Xu, Bin; Xu, Huiying; Cai, Zhiping; Xu, Xiaodong; Xu, Jun

2017-11-01

We report on diode-pumped disordered Nd:LuYSiO5 (Nd:LYSO) crystal lasers operating on the 4F3/2 → 4I11/2 and 4F3/2 → 4I 13/2 transitions. Simultaneous laser operation at 1074 and 1078 nm is achieved with maximum output power of 4.46 W and slope efficiency of 39.6%. Single wavelength laser at 1358 nm with maximum output power of 1.15 W and slope efficiency of 11.8% is also obtained. Moreover, four single-wavelength lasers at 1058, 1107, 1330 and 1386 nm with relatively low gains are achieved with maximum output powers of 2.72, 1.22, 0.52 and 0.42 W, respectively, for the first time to our knowledge. Lasing at non-traditional emission lines was obtained by using output couplers with dielectric coatings for specific wavelength ranges.

Spectroscopic and laser cooling results on Yb3+-doped BaY2F8 single crystal

NASA Astrophysics Data System (ADS)

Bigotta, Stefano; Parisi, Daniela; Bonelli, Lucia; Toncelli, Alessandra; Tonelli, Mauro; Di Lieto, Alberto

2006-07-01

Anti-Stokes cooling has been observed in an Yb3+-doped BaY2F8 single crystal. Single crystals have been grown by the Czochralski technique. The absorption spectra and the emission properties have been measured at room temperature and at 10K. The energy positions of the Stark sublevels of the ground and the excited state manifolds have been determined and separated from the vibronic substructure. The intrinsic decay time of the F5/22 level has been measured taking care of avoiding the effect of multiple reabsorption processes. The theoretical and experimental cooling efficiencies of Yb:BaY2F8 are evaluated and compared with respect to those of the most frequently investigated materials for laser cooling. A temperature drop of almost 4K was measured by pumping the crystal with 3W of laser radiation at ˜1025nm in single pass configuration with a cooling efficiency of ˜3%.

Crystal structure and phase transition in (NH4)3WO2F5: from dynamic to static orientational disorder.

PubMed

Udovenko, Anatoly; Laptash, Natalia

2015-08-01

Single crystals of tungsten double salt (NH4)3WO2F5 = (NH4)3[WO2F4]F have been synthesized by solid-state reaction or from fluoride solution and its crystal structures at 296 and 193 K were determined by X-ray diffraction. At room temperature, the crystal structure of the compound is dynamically disordered with the ligand atoms statistically distributed on two positions (6e and 24m) of the Pm3m unit cell [a = 6.0298 (1) Å], and the tungsten atom dynamically disordered on 12 orientations forming a spatial cuboctahedron [W12] that enables the real geometry of cis-WO2F4 octahedron to be determined with two short W-O distances. On cooling, the compound undergoes a first-order phase transition with the symmetry change Pm3m → Pa3 and a doubling of the unit-cell parameter [a = 11.9635 (7) Å]. The ligand F(O) atoms statistically occupy two general 24d sites and form W1X6 and W2X6 octahedra, in which the O and F atoms are not crystallographically different that means a static orientational disorder of (NH4)3WO2F5.

Color tunable emission in Ce3+ and Tb3+ co-doped Ba2Ln(BO3)2Cl (Ln=Gd and Y) phosphors for white light-emitting diodes.

PubMed

Zhang, Niumiao; Guo, Chongfeng; Jing, Heng; Jeong, Jung Hyun

2013-12-01

Ce(3+) and Tb(3+) co-doped Ba2Ln(BO3)2Cl (Ln=Y and Gd) green emitting phosphors were prepared by solid state reaction in reductive atmosphere. The emission and excitation spectra as well as luminescence decays were investigated, showing the occurrence of efficient energy transfer from Ce(3+) to Tb(3+) in this system. The phosphors exhibit both a blue emission from Ce(3+) and a green emission from Tb(3+) under near ultraviolet light excitation with 325-375 nm wavelength. Emission colors of phosphors could be tuned from deep blue through cyan to green by adjusting the Tb(3+) concentrations. The energy transfer efficiency and emission intensity of Ba2Y(BO3)2Cl:Ce(3+), Tb(3+) precede those of Ba2Gd(BO3)2Cl:Ce(3+), Tb(3+), and the sample Ba2Y(BO3)2Cl:0.03Ce(3+), 0.10Tb(3+) is the best candidate for n-UV LEDs. Copyright © 2013 Elsevier B.V. All rights reserved.

Radiation accumulation of F{sub 2} color centers in LiF crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lisitsyna, L. A.

2016-01-15

The paper presents the results of the research of the F{sub 2} centers accumulation dose dependences in the LiF crystals, the kinetics of absorption relaxation initiated by exposure to a single electron pulse in the band maxima of different electron centers obtained by time-resolved spectrometry with nanosecond resolution. An analytical description of the F{sub 2} center accumulation in an absorbed dose range ≤10{sup 3} Gy is provided.

Effect of temperature on magnetic and impedance properties of Fe3BO6 of nanotubular structure with a bonded B2O3 surface layer

NASA Astrophysics Data System (ADS)

Kumari, Kalpana; Ram, S.; Kotnala, R. K.

2018-03-01

In this investigation, we explore a facile synthesis of Fe3BO6 in the form of small crystallites in the specific shape of nanotubes crystallized from a supercooled liquid Fe2O3-B2O3 precursor. This study includes high resolution transmission electron microscopy (HRTEM) images, magnetic, optical, and impedance properties of the sample. HRTEM images reveal small tubes of Fe3BO6 of 20 nm diameter. A well resolved hysteresis loop appears at 5 K in which the magnetization does not saturate even up to as high field as 50 kOe. It means that the Fe3BO6 nanotubes behave as highly antiferromagnetic in nature in which the surface spins do not align along the field so easily. The temperature dependent impedance describes an ionic Fe3BO6 conductor with a reasonably small activation energy Ea ˜ 0.33 eV. Impedance formalism in terms of a Cole-Cole plot shows a deviation from an ideal Debye-like behavior. We have also reported that electronic absorption spectra are over a spectral range 200-800 nm of wavelengths in order to find out how a bonded surface layer present on the Fe3BO6 crystallites tunes the 3d → 3d electronic transitions in Fe3+ ions.

Structural, morphological and optical investigations on electron-beam irradiated PbF2-TeO2-B2O3-Eu2O3 glasses

NASA Astrophysics Data System (ADS)

Wagh, Akshatha; Petwal, Vikash; Dwivedi, Jishnu; Upadhyaya, V.; Raviprakash, Y.; Kamath, Sudha D.

2016-09-01

Combined structural, optical and morphological studies were carried out on Eu2O3 doped PbF2-TeO2-B2O3 glass samples, before and after being subjected to electron beam of energy 7.5 MeV. XRD confirmed the amorphous nature of the glasses even after 150 kGy electron beam irradiation. Densities of the irradiated samples showed slightly greater values when compared to their respective values before irradiation, which proved the increase in the compaction of the network. The intensities of the three prominent bands; B-O-B linkages, BO4 units and BO3 units of FT-IR spectra, of the titled glasses, showed slight decrease after electron beam irradiation. The decrement in the values of energy band gap and shift in cut-off wavelength towards red edge, proved the formation of color centers in the glass network after irradiation. The change in Hunter L values, through color measurement was a proof for the Farbe/color/absorption centers created in the glass sites after irradiation.

High-pressure synthesis and characterization of the first cerium fluoride borate CeB{sub 2}O{sub 4}F

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hinteregger, Ernst; Wurst, Klaus; Tribus, Martina

2013-08-15

CeB{sub 2}O{sub 4}F is the first cerium fluoride borate, which is exclusively built up of one-dimensional, infinite chains of condensed trigonal-planar [BO{sub 3}]{sup 3−} groups. This new cerium fluoride borate was synthesized under high-pressure/high-temperature conditions of 0.9 GPa and 1450 °C in a Walker-type multianvil apparatus. The compound crystallizes in the orthorhombic space group Pbca (No. 61) with eight formula units and the lattice parameters a=821.63(5), b=1257.50(9), c=726.71(6) pm, V=750.84(9) Å{sup 3}, R{sub 1}=0.0698, and wR{sub 2}=0.0682 (all data). The structure exhibits a 9+1 coordinated cerium ion, one three-fold coordinated fluoride ion and a one-dimensional chain of [BO{sub 3}]{sup 3−}more » groups. Furthermore, IR spectroscopy, Electron Micro Probe Analysis and temperature-dependent X-ray powder diffraction measurements were performed. - Graphical abstract: A new rare-earth fluoride borate CeB{sub 2}O{sub 4}F could be synthesized under high-pressure/high-temperature conditions of 0.9 °GPa and 1450 °Cin a Walker-type multianvil apparatus. The crystal structure represents a new structure type in the class of rare-earth fluoride borates. The structure exhibits a 9+1 coordinated cerium ion, one three-fold coordinated fluoride ion and a one-dimensional chain of [BO{sub 3}]{sup 3−} groups. A closer view on the ac-plane shows an interesting wave-like modulation of the borate chains. Highlights: • CeB{sub 2}O{sub 4}F is the first fluoride borate exclusively built up of one-dimensional, infinite chains of condensed trigonal-planar [BO{sub 3}]{sup 3−} groups. • CeB{sub 2}O{sub 4}F is the first cerium fluoride borate. • High-pressure conditions were necessary to synthesize CeB{sub 2}O{sub 4}F.« less

Energy transfer from Tb{sup 3+} to Eu{sup 2+} in Ga{sub 2}S{sub 3}:(Eu{sup 2+}, Tb{sup 3+}) crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tagiev, O. B., E-mail: Oktay58@mail.ru; Ganbarova, Kh. B.

2015-04-15

The photoluminescence of Ga{sub 2}S{sub 3} crystals activated with Eu{sup 2+} and Tb{sup 3+} ions separately and with ions of both types is studied in the temperature range 77–300 K. It is established that, in the range 77–300 K, the observed broadband photoluminescence in (Ga{sub 2}S{sub 3}){sub 0.95}:(Eu{sub 2}O{sub 3}){sub 0.05} crystals with a peak at 545 nm is defined by 4f{sup 6}5d-4f{sup 7}({sup 8}S{sub 7/2}) intracenter transitions in Eu{sup 2+} ions and the photoluminescence with peaks at 492, 544, 584, 625, and 680 nm in (Ga{sub 2}S{sub 3}){sub 0.99}(Tb{sub 2}O{sub 3}){sub 0.01} crystals is due to the 5d →more » {sup 2}F{sub j} (j = 6−2) intracenter transitions in Tb{sup 3+} ions. It is shown that the photoluminescence bands of Tb{sup 3+} ions in the (Ga{sub 2}S{sub 3}){sub 0.94}(Eu{sub 2}O{sub 3}){sub 0.05}(Tb{sub 2}O{sub 3}){sub 0.01} crystals disappears because of excitation energy transfer from Tb{sup 3+} ions to Eu{sup 2+} ions; i.e., the Tb{sup 3+} ion is a sensitizer of the photoluminescence of the Eu{sup 2+} ion.« less

Role of Er3+ concentration in high-resolution spectra of BaY2 F8 single crystals

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Mazzera, M.; Ponzoni, A.; Amoretti, G.; Magnani, N.; Toncelli, A.; Tonelli, M.

2005-08-01

Fourier transform absorption spectroscopy with a resolution as fine as 0.02cm-1 was applied to Er3+ -doped monoclinic BaY2F8 laser crystals in a wide wave number range (500-24000cm-1) and in the temperature range 9-300 K. The careful analysis of the complex narrow line spectra induced by Er3+ allowed us to determine with high accuracy the crystal field splitting of the fundamental I15/24 and of the excited I13/24 , I11/24 , I9/24 , F9/24 , S3/24 , H11/22 , F7/24 , F5/24 , and F3/24 manifolds. On the basis of the experimental data, the crystal-field parameters were determined and Newman’s superposition model was applied: in this way a slight displacement of Er3+ with respect to the Y3+ position was foreseen. The Judd-Ofelt parameters were evaluated: the lifetime values deduced from them were compared to the experimental ones and discussed. The effects caused by increasing Er3+ concentrations (0.5%, 2%, 12%, and 20% atomic fraction) were studied in detail. The new lines, the line broadening, and the line-shape changes were explained in terms of Er3+-Er3+ interaction.

Bulk Crystallization in a SiO2/Al2O3/Y2O3/AlF3/B2O3/Na2O Glass: Fivefold Pseudo Symmetry due to Monoclinic Growth in a Glassy Matrix Containing Growth Barriers

PubMed Central

Wisniewski, Wolfgang; Seyring, Martin; Patzig, Christian; Höche, Thomas; Keshavarzi, Ashkan; Rüssel, Christian

2016-01-01

A glass with the mol% composition 17 Y2O3·33 Al2O3·40 SiO2·2 AlF3·3 Na2O·2 CeF3·3 B2O3 is heat treated at 1000 °C for 6–24 h. This results in the surface nucleation and growth of YAG. Nucleation and growth of star-shaped alumina and later of monoclinic β-Y2Si2O7 and orthorhombic δ-Y2Si2O7 are additionally observed in the bulk. Phase identification and localization are performed by electron backscatter diffraction (EBSD) as well as TEM analysis. The monoclinic β-Y2Si2O7 observed in the bulk occurs in the form of large, crystal agglomerates which range from 50 to 120 μm in size. The individual crystals are aligned along the c-axis which is the fastest growing axis. Ten probability maxima are observed in the pole-figures illustrating the rotation of orientations around the c-axes indicating a fivefold symmetry. This symmetry is caused by multiple twinning which results in a high probability of specific orientation relationships with rotation angles of ~36°, ~108° (also referred to as the pentagon angle) and ~144° around the c-axis. All these rotation angles are close to the multiples of 36° which are required for an ideal fivefold symmetry. This is the first report of a fivefold symmetry triggered by the presence of barriers hindering crystal growth. PMID:26813152

Optical spectroscopy of Ce3+ ions in BaY2F8 single crystals

NASA Astrophysics Data System (ADS)

Francini, R.; Pinelli, S.; Baraldi, A.; Capelletti, R.; Sani, E.; Toncelli, A.; Tonelli, M.

In the present work we report on the spectroscopic properties of the Ce3+ ion in BaY2F8 single crystals. The absorption and excitation spectra of the emission centered at 340 nm have been measured in the temperature range 15-300 K. The 340 nm emission consists of two broad partially overlapping bands, peaking at 324 and 347 nm (at 15 K), respectively. The full width at half maximum is about 0.5 eV at room temperature. The absorption spectrum of the lowest in energy component of the f --> d transition of Ce3+ reveals at low temperature a marked vibronic structure. High resolution (0.02 cm(-1)) Fourier transform infrared spectroscopy in the wave number range 500-5000 cm(-1) and in the temperature range 9-300 K has been exploited to monitor the f level splitting. The absorption transitions from the three Stark components of the F-2(5/2) manifold to the four of the F-2(7/2) one, have been monitored in the wave number range 2000-3400 cm(-1) . The wave number separation at 9 K between the lowest level of the ground F-2(5/2) manifold and lowest one of the F-2 (7/2) manifold is found to be 2197.47 cm(-1) in good agreement with the splitting detected between the two components of the d --> f emission.

Crystal field analysis of the energy level structure of Cs2NaAlF6:Cr3+

NASA Astrophysics Data System (ADS)

Rudowicz, C.; Brik, M. G.; Avram, N. M.; Yeung, Y. Y.; Gnutek, P.

2006-06-01

An analysis of the energy level structure of Cr3+ ions in Cs2NaAlF6 crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr3+ ions at the two crystallographically inequivalent sites in Cs2NaAlF6. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr3+ ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. Using the ECM predicted CFPs as an input for the CFA/MSH package, the complete energy level schemes are calculated for Cr3+ ions at the two sites. Comparison of the theoretical results with the experimental spectroscopic data yields satisfactory agreement. Our results confirm that the actual symmetry at both impurity sites I and II in the Cs2NaAlF6:Cr3+ system is trigonal D3d. The ECM predicted CFPs may be used as the initial (starting) parameters for simulations and fittings of the energy levels for Cr3+ ions in structurally similar hosts.

In search of the X{sub 2}BO and X{sub 2}BS (X = H, F) free radicals: Ab initio studies of their spectroscopic signatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clouthier, Dennis J., E-mail: dclaser@uky.edu

2014-12-28

The F{sub 2}BO free radical is a known, although little studied, species but similar X{sub 2}BY (X = H, D, F; Y = O, S) molecules are largely unknown. High level ab initio methods have been used to predict the molecular structures, vibrational frequencies (in cm{sup −1}), and relative energies of the ground and first two excited electronic states of these free radicals, as an aid to their eventual spectroscopic identification. The chosen theoretical methods and basis sets were tested on F{sub 2}BO and found to give good agreement with the known experimental quantities. In particular, complete basis set extrapolationsmore » of coupled-cluster single and doubles with perturbative triple excitations/aug-cc-pVXZ (X = 3, 4, 5) energies gave excellent electronic term values, due to small changes in geometry between states and the lack of significant multireference character in the wavefunctions. The radicals are found to have planar C{sub 2v} geometries in the X{sup ~2}B{sub 2} ground state, the low-lying A{sup ~2}B{sub 1} first excited state, and the higher B{sup ~2}A{sub 1} state. Some of these radicals have very small ground state dipole moments hindering microwave measurements. Infrared studies in matrices or in the gas phase may be possible although the fundamentals of H{sub 2}BO and H{sub 2}BS are quite weak. The most promising method of identifying these species in the gas phase appears to be absorption or laser-induced fluorescence spectroscopy through the allowed B{sup ~}-X{sup ~} transitions which occur in the visible-near UV region of the electromagnetic spectrum. The ab initio results have been used to calculate the Franck-Condon profiles of the absorption and emission spectra, and the rotational structure of the B{sup ~}-X{sup ~}0{sub 0}{sup 0} bands has been simulated. The calculated single vibronic level emission spectra provide a unique, readily recognizable fingerprint of each particular radical, facilitating the experimental identification of new X

Phase relations in the pseudo ternary system In2O3-TiO2-BO (B: Zn, Co and Ni) at 1200 °C in air

NASA Astrophysics Data System (ADS)

Brown, Francisco; Jacobo-Herrera, Ivan Edmundo; Alvarez-Montaño, Victor Emmanuel; Kimizuka, Noboru; Hirano, Tomonosuke; Sekine, Ryotaro; Denholme, Saleem J.; Miyakawa, Nobuaki; Kudo, Akihiko; Iwase, Akihide; Michiue, Yuichi

2018-02-01

Phase relations in the pseudo ternary systems In2O3-TiO2-ZnO, In2O3-TiO2-CoO and In2O3-TiO2-NiO at 1200 °C in air were determined by means of a classic quenching method. In6Ti6BO22 (B: Zn, Co and Ni) which has the monoclinic In(Fe1/4Ti3/4)O27/8-type of structure with a 4-dimensional super space group exists in a stable form. There exist homologous phases In1+x(Ti1/2Zn1/2)1-xO3(ZnO)m (m: natural number, 03(ZnO)m-type of the layered crystal structures such as In1+x(Ti1/2Zn1/2)1-xO3(ZnO) (0.12 ≤ x ≤ 0.29), In1+x(Ti1/2Zn1/2)1-x(ZnO)2 (0.12 ≤ x ≤ 0.50), In1+x(Ti1/2Zn1/2)1-xO3(ZnO)3 (0.15 ≤ x ≤ 0.84), In1+x(Ti1/2Zn1/2)1-x(ZnO)4 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-xO3(ZnO)5 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-x(ZnO)6 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-xO3(ZnO)7 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-x(ZnO)8 (?2Zn1/2)1-xO3(ZnO)9 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-x(ZnO)10 (?2Zn1/2)1-xO3(ZnO)11 (0.15 ≤ x ≤ 1)… without an upper limit of m in the pseudo ternary system In2O3-TiO2-ZnO. All the ions are on the trigonal lattice points, the In(III) is in the octahedral coordination with the oxygen and the {Inx(Ti1/2Zn1/2)1-xZnm} is in the trigonalbipyramidal coordination with oxygen in the crystal structures of each homologous compound. They have R 3 bar m (No. 166) for m = odd or P63/mmc (No. 194) for m = even in space group. Lattice constants for each of the homologous compounds as a hexagonal setting and In6Ti6BO22 as the monoclinic system were determined by means of the powder X-ray diffraction method at room temperature. The temperature dependence of resistivity for In1+x(Ti1/2Zn1/2)1-x(ZnO)4 (0.15 ≤ x ≤ 1) showed semiconducting-like behavior for all samples examined at T(K) = 2-300. The resistivity increased systematically with decreasing x (0.7 ≤ x ≤ 1), and it was found that samples where x ≤ 0.7 became insulators. The optical band gap Eg (eV) of In1+x(Ti1/2Zn

Temperature dependence of luminescence behavior in Er3+-doped BaY2F8 single crystal

NASA Astrophysics Data System (ADS)

Wang, Shuai; Ruan, Yongfeng; Tsuboi, Taiju; Tong, Hongshuang; Wang, Youfa; Zhang, Shouchao

2013-12-01

BaY2F8 single crystals doped with Er3+ ions have been grown by the temperature gradient method. The absorption, excitation and emission spectra for Er3+-doped BaY2F8 crystals were measured at room temperature (297 K) and 12 K. The effect of temperature on the luminescence intensity and effective bandwidth was investigated in the range of 12-297 K. The temperature dependence of the fluorescence intensity ratio (FIR) for the 522 nm emission (2H11/2→4I15/2 transition) and the 552 nm emission (4S3/2→4I15/2 transition) was also studied in the range of 12-297 K. Based on the fitting FIR curve, the value of the constant term B (2.25) was obtained. The fitting FIR curve and FIR equation may have a potential application in the temperature measurement. In addition, the up-conversion spectrum at room temperature was recorded under excitation of 980 nm and the up-conversion mechanism was analyzed in detail.

Face-capping μ3-BO in B6(BO)7-: boron oxide analogue of B6H7- with rhombic 4c-2e bonds.

PubMed

Guo, Jin-Chang; Lu, Hai-Gang; Zhai, Hua-Jin; Li, Si-Dian

2013-11-14

Using the first-principle approaches, we predict a B6(BO)7(-) cluster with a face-capping μ(3)-BO, which is the boron oxide analogue of closo-B6H7(-) with a face-capping μ(3)-H. Detailed topological analysis of electron density clearly reveals the existence of three rhombic 4c-2e bonds around the B/H apex in both C3v B6(BO)7(-) and C3v B6H7(-), which possesses similar electron densities at their bond and ring critical points. The adaptive natural density partitioning (AdNDP) analysis provides a direct and visual picture of the B-B-B-B/H 4c-2e bonds for the first time. Adiabatic and vertical electron detachment energies of the concerned monoanions are calculated to facilitate their future photoelectron spectroscopy measurements and characterizations. The presence of the B6(BO)7(-) and B6H7(-) clusters extends the BO/H isolobal analogy to the whole μ(n)-BO/H series (n = 1, 2, and 3) and enriches the chemistry of boronyl.

Alignment of CH3F in para-H2 crystal studied by IR quantum cascade laser polarization spectroscopy.

PubMed

Kawasaki, Hiroyuki; Mizoguchi, Asao; Kanamori, Hideto

2016-05-14

In order to investigate the alignment of CH3F in para-H2 crystals, high resolution polarization spectroscopy of the ν3 vibrational band is studied using a quantum cascade laser at 1040 cm(-1). It is found that the main and satellite series of peaks in the ν3 vibrational band of CH3F have the same polarization dependence. This result supports the previously proposed cluster model with ortho-H2 in first and second nearest neighbor sites. The observed polarization dependence function is well described by a simple six-axis void model in which CH3F is not aligned along the c-axis of the crystal but tilted to 64.9(3)° from it.

Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra

NASA Astrophysics Data System (ADS)

Kim, Eun-ah; Lee, Dong Woo; Ok, Kang Min

2012-11-01

The syntheses, structures, and characterization of organically templated zero-dimensional titanium fluoride materials, A2TiF6 (A[N(CH3)4] or [C(NH2)3]), are reported. Phase pure samples of A2TiF6 were synthesized by either solvothermal reaction method or a simple mixing method. While [N(CH3)4]2TiF6 crystallizes in a centrosymmetric space group, R-3, [C(NH2)3]2TiF6 crystallizes in a noncentrosymmetric polar space group, Cm. The asymmetric out-of-center distortion of TiF6 octahedra in polar [C(NH2)3]2TiF6 are attributable to the hydrogen-bonding interactions between the fluorine atoms in TiF6 octahedra and the nitrogen atoms in the [C(NH2)3]+ cation. Powder second-harmonic generation (SHG) measurements on the [C(NH2)3]2TiF6, using 1064 nm radiation, indicate the material has SHG efficiency of 25× that of α-SiO2, which indicates an average nonlinear optical susceptibility, exp of 2.8 pm/V. Additional SHG measurements reveal that the material is not phase-matchable (Type 1). The magnitudes of out-of-center distortions and dipole moment calculations for TiF6 octahedra will be also reported.

Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+).

PubMed

Fulle, Kyle; Sanjeewa, Liurukara D; McMillen, Colin D; Kolis, Joseph W

2017-10-01

Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE 2 Si 4 O 12 F 2 (RE = Er 3+ -Lu 3+ ) and new compounds in the Ba 2 RE 2 Si 4 O 13 (RE = La 3+ -Ho 3+ ) family, covering the whole range of ionic radii for the rare earth ions. The Ba 2 RE 2 Si 4 O 13 series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group P{\\overline 1} for La 3+ -Nd 3+ , and space group C2/c for Sm 3+ -Ho 3+ ). Two of the structure types identified are based on dinuclear rare earth units that differ in their crystal chemistries, particularly with respect to the role of fluorine as a structural director. The broad study of rare earth ions provides greater insight into understanding structural variations within silicate frameworks and the nature of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

Semiconductor CdF2:Ga and CdF2:In Crystals as Media for Real-Time Holography

PubMed Central

Ryskin, Alexander I.; Shcheulin, Alexander S.; Angervaks, Alexander E.

2012-01-01

Monocrystalline cadmium fluoride is a dielectric solid that can be converted into a semiconductor by doping with donor impurities and subsequent heating in the reduction atmosphere. For two donor elements, Ga and In, the donor (“shallow”) state is a metastable one separated from the ground (“deep”) state by a barrier. Photoinduced deep-to-shallow state transition underlies the photochromism of CdF2:Ga and CdF2:In. Real-time phase holograms are recorded in these crystals capable of following up optical processes in a wide frequency range. The features of photochromic transformations in CdF2:Ga and CdF2:In crystals as well as holographic characteristics of these media are discussed. Exemplary applications of CdF2-based holographic elements are given. PMID:28817009

Highly efficient red-emitting BaMgBO3F:Eu3+,R+ (R: Li, Na, K, Rb) phosphor for near-UV excitation synthesized via glass precursor solid-state reaction

NASA Astrophysics Data System (ADS)

Shinozaki, Kenji; Akai, Tomoko

2017-09-01

Eu3+-doped fluoroborate crystals of BaMgBO3F were synthesized by a solid-state reaction using a glassy precursor material, and their photoluminescence (PL) was investigated. To compensate for the incorporation of Eu3+ into Ba2+ sites, samples codoped with alkali ions (Li+, Na+, K+, Rb+) were also prepared. The Eu3+-doped sample showed red PL with a quantum yield (QY) of 65% caused by near-UV excitation (λ = 393 nm), and PL intensity and QY increased with the codoping of Eu3+ and alkali ions. It was found that the Eu3+,Li+-codoped sample showed the highest PL intensity and a QY of 83%.

Ba2F2Fe2+ 0.5Fe3+ S3: a two-dimensional inhomogeneous mixed valence iron compound.

PubMed

Kabbour, Houria; Cario, Laurent

2008-03-03

The structure of the new mixed valence compound Ba2F2Fe1.5S3 was solved by means of single crystal X-ray analysis. It crystallizes in an orthorhombic cell, in the Pnma space group with the cell parameters a = 12.528(3) A, b = 18.852(4) A, and c = 6.0896(12) A. The structure is formed by the alternated stacking of fluorite type [Ba2F2]2+ blocks and the newly discovered [Fe1.5S3]2- blocks. This [Fe1.5S3]2- block exhibits a mixed valence of iron with Fe(+II) located in octahedrons and Fe(+III) in tetrahedrons. Preliminary susceptibility measurements suggest a low dimensional antiferromagnetic behavior.

Theoretical and experimental studies of the Nd3+ 4f3<-->4f25d transitions in monoclinic Nd:BaY2F8 crystal

NASA Astrophysics Data System (ADS)

Collombet, Annabelle; Guyot, Yannick; Joubert, Marie-France; Margerie, Jean; Moncorgé, Richard; Tkachuk, Alexandra

2004-11-01

Experimental spectroscopic results related to Nd3+-doped BaY2F8, are presented that include vacuum-ultraviolet ground-state absorption and excitation spectra as well as polarized emission and excited-state absorption spectra recorded in the near-ultraviolet spectral range at room and low temperatures. Calculations were performed to determine the positions of the 4f25d sublevels and the intensities and polarizations of the 4f3<-->4f25d optical transitions of the Nd3+ ions in the C2 symmetry sites of the biaxial host crystal. The simulated spectra agree well with the experimental spectra; in particular, the model that was used successfully reproduced the differences between the polarized spectra on one hand and between the spectra recorded at low and room temperatures on the other hand.

Thermophysical characteristics of EuF2.136 crystal

NASA Astrophysics Data System (ADS)

Popov, P. A.; Moiseev, N. V.; Karimov, D. N.; Sorokin, N. I.; Sulyanova, E. A.; Sobolev, B. P.

2015-09-01

Single crystals of EuF2.136 solid solution with a f luorite-type structure (sp. gr. , a = 5.82171(5) Å) have been grown by the Bridgeman method from a melt. Their thermal conductivity k( T) in the temperature range of 50-300 K and heat capacity С Р ( T) at 63-300 K have been studied experimentally for the first time. At T = 300 K the thermophysical characteristics are as follows: thermal conductivity k = 2.13 W/(m K), heat capacity С Р = 73 J/(mol K), and phonon mean free path l ≈ 11 Å. The temperature dependences of entropy S( T), enthalpy H( T), and phonon mean free path l( T) in EuF2.136 crystal are determined.

Hardness properties and microscopic investigation of crack- crystal interaction in SiO(2)-MgO-Al(2)O(3)-K(2)O-B(2)O(3)-F glass ceramic system.

PubMed

Roy, Shibayan; Basu, Bikramjit

2010-01-01

In view of the potential engineering applications requiring machinability and wear resistance, the present work focuses to evaluate hardness property and to understand the damage behavior of some selected glass-ceramics having different crystal morphologies with SiO(2)-MgO-Al(2)O(3)-K(2)O-B(2)O(3)-F composition, using static micro-indentation tests as well as dynamic scratch tests, respectively. Vickers hardness of up to 5.5 GPa has been measured in glass-ceramics containing plate like mica crystals. Scratch tests at a high load of 50 Nin artificial saliva were carried out in order to simulate the crack-microstructure interaction during real-time abrasion wear and machining operation. The experimental observations indicate that the novel "spherulitic-dendritic shaped "crystals, similar to the plate like crystals, have the potential to hinder the scratching induced crack propagation. In particular, such potential of the 'spherulitic-dendritic' crystals become more effective due to the larger interfacial area with the glass matrix as well as the dendritic structure of each mica plate, which helps in crack deflection and crack blunting, to a larger extent.While modest damage tolerant behavior is observed in case of 'spherulitic-dendritic' crystal containing material, severe brittle fracture of plate like crystals were noted, when both were scratched at 50 N load.

Enhanced NIR downconversion luminescence by precipitating nano Ca5(PO4)3F crystals in Eu2+-Yb3+ co-doped glass

NASA Astrophysics Data System (ADS)

Li, Chen; Song, Zhiguo; Li, Yongjin; Lou, Kai; Qiu, Jianbei; Yang, Zhengwen; Yin, Zhaoyi; Wang, Xue; Wang, Qi; Wan, Ronghua

2013-10-01

Eu2+-Yb3+ co-doped transparent glass-ceramic containing nano-Ca5(PO4)3F (FAP) was prepared in reducing atmosphere. XRD and TEM analysis indicated that nano-FAP about 40 nm precipitated homogeneously in glass matrix after heat treatment. Confirmed by spectroscopy measurements, the crystal-like absorption and emission of Eu2+ indicated the partition of Eu2+ into FAP nanocrystals in glass ceramic. NIR emission due to the transition 2F→2F of Yb3+ ions (about 980-1100 nm) was observed from glasses under ultraviolet excitation, ascribed to downconversion from Eu2+ to Yb3+, which can be enhanced by precipitating nano-FAP crystals. The results indicated that Eu2+-Yb3+ co-doped glass-ceramic embedding with nano-FAP is a promising candidate as downconversion materials for enhancing conversion efficiency of solar cells.

Energy-transfer processes in Yb:Tm-doped KY3F10, LiYF4, and BaY2F8 single crystals for laser operation at 1.5 and 2.3 μm

NASA Astrophysics Data System (ADS)

Braud, A.; Girard, S.; Doualan, J. L.; Thuau, M.; Moncorgé, R.; Tkachuk, A. M.

2000-02-01

Energy-transfer processes have been quantitatively studied in various Tm:Yb-doped fluoride crystals. A comparison between the three host crystals which have been examined (KY3F10, LiYF4, and BaY2F8) shows clearly that the efficiency of the Yb-->Tm energy transfers is larger in KY3F10 than in LiYF4 or BaY2F8. The dependence of the energy-transfer parameters upon the codopant concentrations has been experimentally measured and compared with the results calculated on the basis of migration-assisted energy-transfer models. Using these energy-transfer parameters and a rate equation model, we have performed a theoretical calculation of the laser thresholds for the 3H4-->3F4 and 3H4-->3H5 laser transitions of the Tm ion around 1.5 and 2.3 μm, respectively. Laser experiments performed at 1.5 μm in Yb:Tm:LiYF4 then led to laser threshold values in good agreement with those derived theoretically. Based on these results, optimized values for the Yb and Tm dopant concentrations for typical values of laser cavity and pump modes were finally derived to minimize the threshold pump powers for the laser transitions around 1.5 and 2.3 μm.

Luminescence Spectroscopy and Crystal Field Simulations of Europium Propylenediphosphonate EuH[O 3P(CH 2) 3PO 3] and Europium Glutarate [Eu(H 2O)] 2[O 2C(CH 2) 3CO 2] 3·4H 2O

NASA Astrophysics Data System (ADS)

Serpaggi, F.; Férey, G.; Antic-Fidancev, E.

1999-12-01

The results of investigations on the photoluminescence of two europium hybrid compounds, EuH[O3P(CH2)3PO3] (Eu[diph]) and [Eu(H2O)]2[O2C(CH2)3CO2]3·4H2O (Eu[glut]), are presented. In both compounds one local environment is found for the rare earth (Re) ion and the symmetry of the Re polyhedron is low (Cs) as evidenced by the Eu3+ luminescence studies. The electrostatic crystal field (cf) parameters of the 7F multiplet are obtained by the application of the phenomenological cf theory. The simulations using C2v symmetry for the rare earth ion give good agreement between the calculated and the experimental 7F0-4 energy level schemes. The observed optical data are discussed in relation to the crystal structure of the compounds.

Highly-efficient mid-infrared CW laser operation in a lightly-doped 3 at.% Er:SrF2 single crystal.

PubMed

Su, Liangbi; Guo, Xinsheng; Jiang, Dapeng; Wu, Qinghui; Qin, Zhipeng; Xie, Guoqiang

2018-03-05

3 at.% Er:SrF 2 laser crystals with high optical quality were successfully grown using the temperature gradient technique (TGT). The intense mid-infrared emission was observed around 2.7 μm with excitation by a 970 nm LD. Based on the Judd-Ofelt theory, the emission cross-sections of the 4 I 13/2 - 4 I 11/2 transition were calculated by using the Fuchtbauer-Ladenburg (FL) method. Efficient continuous-wave laser operation at 2.8 µm was achieved with the lightly-doped 3 at.% Er:SrF 2 crystal pumped by a 970 nm laser diode. The laser output power reached up to 1.06 W with a maximum slope efficiency of 26%.

μ+SR Investigation of the Shastry-Sutherland Compound SrCu2(BO3)2

NASA Astrophysics Data System (ADS)

Sassa, Y.; Wang, S.; Sugiyama, J.; Amato, A.; Rønnow, H. M.; Rüegg, C.; Månsson, M.

In this study we have investigated the low-dimensional correlated spin system SrCu2(BO3)2 using ambient-pressure muon spin rotation/relaxation (μ+SR). The zero-field data are similar to previously published data, but in addition, they give an even clearer sign of the two low-temperature transitions (T1 ≈ 3 and T2 ≈ 7 K), which is fully consistent with inelastic neutron scattering (INS) measurements. Longitudinal field (LF) data clearly show that the copper spins are highly dynamic and a saturation of the low-temperature relaxation rate indicate that these are indeed two-dimensional (2D) quantum spin fluctuations.

4-spin plaquette singlet state in the Shastry-Sutherland compound SrCu2(BO3)2

NASA Astrophysics Data System (ADS)

Zayed, M. E.; Rüegg, Ch.; Larrea J., J.; Läuchli, A. M.; Panagopoulos, C.; Saxena, S. S.; Ellerby, M.; McMorrow, D. F.; Strässle, Th.; Klotz, S.; Hamel, G.; Sadykov, R. A.; Pomjakushin, V.; Boehm, M.; Jiménez-Ruiz, M.; Schneidewind, A.; Pomjakushina, E.; Stingaciu, M.; Conder, K.; Rønnow, H. M.

2017-10-01

The study of interacting spin systems is of fundamental importance for modern condensed-matter physics. On frustrated lattices, magnetic exchange interactions cannot be simultaneously satisfied, and often give rise to competing exotic ground states. The frustrated two-dimensional Shastry-Sutherland lattice realized by SrCu2(BO3)2 (refs ,) is an important test case for our understanding of quantum magnetism. It was constructed to have an exactly solvable 2-spin dimer singlet ground state within a certain range of exchange parameters and frustration. While the exact dimer state and the antiferromagnetic order at both ends of the phase diagram are well known, the ground state and spin correlations in the intermediate frustration range have been widely debated. We report here the first experimental identification of the conjectured plaquette singlet intermediate phase in SrCu2(BO3)2. It is observed by inelastic neutron scattering after pressure tuning to 21.5 kbar. This gapped singlet state leads to a transition to long-range antiferromagnetic order above 40 kbar, consistent with the existence of a deconfined quantum critical point.

Ultra-precision process of CaF2 single crystal

NASA Astrophysics Data System (ADS)

Yin, Guoju; Li, Shengyi; Xie, Xuhui; Zhou, Lin

2014-08-01

This paper proposes a new chemical mechanical polishing (CMP) process method for CaF2 single crystal to get ultraprecision surface. The CMP processes are improving polishing pad and using alkaline SiO2 polishing slurry with PH=8, PH=11 two phases to polish, respectively, and the roughness can be 0.181nm Rq (10μm×10μm). The CMP process can't get high surface figure, so we use ion beam figuring (IBF) technology to obtain high surface figure. However, IBF is difficult to improve the CaF2 surface roughness. We optimize IBF process to improve surface figure and keep good surface roughness too. Different IBF incident ion energy from 400ev to 800ev does not affect on the surface roughness obviously but the depth of material removal is reverse. CaF2 single crystal can get high precision surface figure (RMS=2.251nm) and still keep ultra-smooth surface (Rq=0.207nm) by IBF when removal depth is less than 200nm. The researches above provide important information for CaF2 single crystal to realize ultra-precision manufacture.

CsFe3(SeO3)2F6 with S = 5/2 Cube Tile Lattice.

PubMed

Lu, Hongcheng; Kageyama, Hiroshi

2018-05-21

A layered iron selenite fluoride CsFe 3 (SeO 3 ) 2 F 6 1 was hydrothermally synthesized. Single-crystal X-ray diffraction studies show that 1 has a trigonal ( P3̅ m1) lattice, where [Fe 3 (SeO 3 ) 2 F 6 ] - blocks of three iron sublayers are separated by Cs cations. Within the block, only Fe(2)F 6 and Fe(1)O 3 F 3 octahedra are magnetically connected via superexchange Fe(1) -F -Fe(2) pathways, giving an S = 5/2 cube tile (dice) lattice. At low magnetic field, 1 exhibits an antiferromagnetic transition at ∼130 K, where ferrimagnetic cube tile layers are arranged in a staggered manner. At low temperatures, we observed a field-induced transition to a ferrimagnetic state with a one-third magnetization plateau.

Anomalous property of Ag(BO2)2 hyperhalogen: does spin-orbit coupling matter?

PubMed

Chen, Hui; Kong, Xiang-Yu; Zheng, Weijun; Yao, Jiannian; Kandalam, Anil K; Jena, Puru

2013-10-07

Hyperhalogens were recently identified as a new class of highly electronagative species which are composed of metals and superhalogens. In this work, high-level theoretical calculations and photoelectron spectroscopy experiments are systematically conducted to investigate a series of coinage-metal-containing hyperhalogen anions, Cu(BO(2))(2)(-), Ag(BO(2))(2)(-), and Au(BO(2))(2)(-). The vertical electron detachment energy (VDE) of Ag(BO(2))(2)(-) is anomalously higher than those of Au(BO(2))(2)(-) and Cu(BO(2))(2)(-). In quantitative agreement with the experiment, high-level ab initio calculations reveal that spin-orbit coupling (SOC) lowers the VDE of Au(BO(2))(2)(-) significantly. The sizable magnitude of about 0.5 eV of SOC effect on the VDE of Au(BO(2))(2)(-) demonstrates that SOC plays an important role in the electronic structure of gold hyperhalogens. This study represents a new paradigm for relativistic electronic structure calculations for the one-electron-removal process of ionic Au(I)L(2) complexes, which is characterized by a substantial SOC effect. Copyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.

Monoclinic β-BaY2F8—a novel crystal simultaneously active for SRS and Ln3+-ion lasing

NASA Astrophysics Data System (ADS)

Kaminskii, A. A.; Lux, O.; Hanuza, J.; Rhee, H.; Eichler, H. J.; Zhang, J.; Tang, D.; Shen, D.; Yu, H.; Wang, J.; Yoneda, H.; Shirakawa, A.

2015-01-01

This paper presents the first investigation of stimulated Raman scattering (SRS) in the monoclinic fluoride crystal β-BaY2F8, which is known as a promising host-material for trivalent lanthanide (Ln3+) lasant ions. Picosecond laser excitation in the visible and near-IR spectral range at room temperature revealed the manifestation of nine SRS-promoting phonon modes, which are related to Ag and Bg vibrations of the crystal. Besides multi-phonon Stokes and anti-Stokes generation, we observed cross-cascaded χ(3) ↔ χ(3) processes involving different pairs of SRS-active phonons. A comparative estimation of the first Stokes steady-state Raman gain coefficients, both in the visible and near-IR region related to the most active SRS-phonon mode ωSRS1 ≈ 208 cm-1 of β-BaY2F8, was also performed. Furthermore, a brief review of the pioneering papers on laser action of Ln3+-ions doped in β-BaY2F8 single crystals and other known SRS-active fluoride crystals is given in tabular form.

Structural, spectroscopic and cytotoxicity studies of TbF3@CeF3 and TbF3@CeF3@SiO2 nanocrystals.

PubMed

Grzyb, Tomasz; Runowski, Marcin; Dąbrowska, Krystyna; Giersig, Michael; Lis, Stefan

2013-01-01

Terbium fluoride nanocrystals, covered by a shell, composed of cerium fluoride were synthesized by a co-precipitation method. Their complex structure was formed spontaneously during the synthesis. The surface of these core/shell nanocrystals was additionally modified by silica. The properties of TbF 3 @CeF 3 and TbF 3 @CeF 3 @SiO 2 nanocrystals, formed in this way, were investigated. Spectroscopic studies showed that the differences between these two groups of products resulted from the presence of the SiO 2 shell. X-ray diffraction patterns confirmed the trigonal crystal structure of TbF 3 @CeF 3 nanocrystals. High resolution transmission electron microscopy in connection with energy-dispersive X-ray spectroscopy showed a complex structure of the formed nanocrystals. Crystallized as small discs, 'the products', with an average diameter around 10 nm, showed an increase in the concentration of Tb 3+ ions from surface to the core of nanocrystals. In addition to photo-physical analyses, cytotoxicity studies were performed on HSkMEC (Human Skin Microvascular Endothelial Cells) and B16F0 mouse melanoma cancer cells. The cytotoxicity of the nanomaterials was neutral for the investigated cells with no toxic or antiproliferative effect in the cell cultures, either for normal or for cancer cells. This fact makes the obtained nanocrystals good candidates for biological applications and further modifications of the SiO 2 shell. .

Structural, spectroscopic and cytotoxicity studies of TbF3@CeF3 and TbF3@CeF3@SiO2 nanocrystals

NASA Astrophysics Data System (ADS)

Grzyb, Tomasz; Runowski, Marcin; Dąbrowska, Krystyna; Giersig, Michael; Lis, Stefan

2013-10-01

Terbium fluoride nanocrystals, covered by a shell, composed of cerium fluoride were synthesized by a co-precipitation method. Their complex structure was formed spontaneously during the synthesis. The surface of these core/shell nanocrystals was additionally modified by silica. The properties of TbF3@CeF3 and TbF3@CeF3@SiO2 nanocrystals, formed in this way, were investigated. Spectroscopic studies showed that the differences between these two groups of products resulted from the presence of the SiO2 shell. X-ray diffraction patterns confirmed the trigonal crystal structure of TbF3@CeF3 nanocrystals. High resolution transmission electron microscopy in connection with energy-dispersive X-ray spectroscopy showed a complex structure of the formed nanocrystals. Crystallized as small discs, `the products', with an average diameter around 10 nm, showed an increase in the concentration of Tb3+ ions from surface to the core of nanocrystals. In addition to photo-physical analyses, cytotoxicity studies were performed on HSkMEC (Human Skin Microvascular Endothelial Cells) and B16F0 mouse melanoma cancer cells. The cytotoxicity of the nanomaterials was neutral for the investigated cells with no toxic or antiproliferative effect in the cell cultures, either for normal or for cancer cells. This fact makes the obtained nanocrystals good candidates for biological applications and further modifications of the SiO2 shell.

Modulated visible spectra properties of Pr:Ca1-xRxF2+x(R=Y, La, Gd) crystals

NASA Astrophysics Data System (ADS)

Yu, Hao; Qian, Xiaobo; Wu, Qinghui; Ma, Fengkai; Wang, Jingya; Xu, Jun; Su, Liangbi

2017-10-01

The spectroscopic properties of the 1.0 at.%Pr:Ca0.97R0.02F2.03(R=Y, La, Gd) crystals are investigated. X-diffraction and room temperature absorption spectra have been registered and analyzed. The emission spectra and decay curves of the crystals were obtained at room temperature. The photoluminescence intensity in the visible region is significantly enhanced by co-doping R3+ ions in Pr:CaF2 crystal. The different effects among the R3+ (Y3+, La3+ and Gd3+) regulating ions on the crystals were observed and compared. Pr:Ca0.97La0.02F2.03 and Pr:Ca0.97Y0.02F2.03 crystals have substantially strong emission at blue and orange region, while the Pr:Ca0.97Gd0.02F2.03 crystal is more suitable for the red emission emitting.

Upconversion excitations in Pr3+-doped BaY2F8 crystal

NASA Astrophysics Data System (ADS)

Piramidowicz, R.; Mahiou, R.; Boutinaud, P.; Malinowski, M.

2011-09-01

We report the orange-to-blue and infrared-(IR)-to-blue wavelengths upconversion luminescence in Pr3+:BaY2F8 crystals. Mechanism of the orange light upconversion into blue 3P0 state emission was confirmed to be energy transfer between two Pr3+ ions in the 1D2 state. IR-to-blue upconversion has only been observed under two different color IR pumping. The first resonant step was the 3H4→1G4 ground state absorption transition, and the second resonant transition was the excited state absorption from the 1G4 to 1I6 and 3PJ levels. A comparison of the efficiency of the IR-to-blue upconversion in several praseodymium activated host is presented and discussed. A model of the IR pumped upconversion praseodymium blue laser is presented and the population inversion conditions are calculated.

F-aggregate centers formation in BaLiF3 crystals

NASA Astrophysics Data System (ADS)

Prado, L.; Gomes, L.; Baldochi, S. L.; Morato, S. P.; Vieira, N. D.

The kinetics of F-aggregate centers formation is investigated in the inverted fluoroperovskite of BaLiF3 submitted to electron-irradiation. By studies of the changes in the absorption spectra during storage of samples in the dark, at room temperature, it was possible to verify a surprising and interesting dependence on defect formation with the crystal growth direction. In spite of its cubic structure, crystals grown in the <100> and <111> directions and submitted to the same conditions of irradiation, showed in particular, to enhance the production of a defect absorbing at 630 nm in <100> crystals which we believe to correspond to F+2-centers in BaLiF3

Growth and spectral properties of Tm:BaY2F8 crystals with different Tm3+ concentration

NASA Astrophysics Data System (ADS)

Liu, Wang; Li, Chun; Xu, Jialin; Zhou, Yao; Xie, Huishuang; Gao, Meiling; Yin, Ru; Zheng, Dongyang; Lin, Hai; Liu, Jinghe; Zeng, Fanming

2016-01-01

Tm3+:BaY2F8 (Tm:BYF) laser crystals with different doping concentrations were successfully grown by Czochralski method. The optimal growth parameters obtained are as follows: the pulling rate is 0.5 mm/h; the rotation speed is 5 rpm; the cooling rate is 10°C/h. Phase composition, absorption spectra, and fluorescence properties of crystals were studied by XRD and spectral methods. XRD analysis indicates that the crystal belongs to monoclinic system with the C2/ m space group. The lattice parameters were calculated and the anisotropy of the crystals was studied, confirming that the a axis is the best growth direction. The absorption peaks around 790 nm became larger with increase of Tm3+ concentration. The cross section of 15% Tm:BYF crystal around 791 nm is 9.47 × 10-21 cm2. The 10% Tm:BYF crystal has the strongest emission peak around 1879.6 nm with the FWHM of 79 nm and the emission cross-section of 2.13 × 10-21 cm2, which is favorable for the 1.88 μm laser output.

Vibronic transitions of trivalent Er and Ce in BaY2F8 single crystals

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Mazzera, M.; Ponzoni, A.; Sani, E.; Tonelli, M.

2003-01-01

High resolution (0.02 cm(-1)) Fourier transform spectroscopy was applied in the 9-300 K and 100-24,000 cm(-1) ranges, respectively, to detect in Er3+ and Ce3+ doped Bay(2)F(8) single crystals (1) the narrow line spectra due to the intraconfigurational 4f-->4f transitions of the rare earths (RE) and (2) the possible vibronic tails accompanying the zero-phonon lines. The F-2(5/2) --> F-2(7/2) transition was monitored for the Ce3+-doping and the crystal field splitting of the initial and final manifold was determined. Weak vibronic spectra accompanying six among the nine investigated 4f-->4f transitions of Er3+ and the F-2(5/2) --> F-2(7/2) transition of Ce3+ were detected. The vibronic spectra amplitude was found to scale with the RE contents. On the basis of the IR- and Raman-active vibrational modes, either measured or quoted in the literature, most of the vibronic lines could be successfully assigned to the lattice modes. Violations of the selection rules were envisaged and discussed.

High resolution FTIR spectroscopy of BaY2F8 single crystals doped with trivalent Er

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Cornelli, M.; Ponzoni, A.; Ruffini, A.; Sperzagni, A.; Tonelli, M.

High resolution (0.04 cm-1) FTIR spectroscopy is applied to monoclinic Er3+-doped BaY2F8 single crystals in the wavenumber range 500-24000 cm-1 and temperature range 9-300 K to study the crystal field splitting of the fundamental 4I15/2 and of the excited 4I13/2, 4I11/2, 4I9/2, 4F9/2, 4S3/2, 2H11/2, 4F7/2, 4F5/2, and 4F3/2 states and the effects caused by increasing Er3+-concentrations (2-20% m.f.), such as inhomogeneous line-broadening and new lines due to Er3+-Er3+ interaction. In the framework of the electron-phonon interaction, the thermally induced line-broadening and -shift are detected and accounted for by the two-phonon Raman model and the vibronic replicas of a few lines are investigated.

Influence of Li3BO3 additives on the Li+ conductivity and stability of Ca/Ta-substituted Li6.55(La2.95Ca0.05)(Zr1.5Ta0.5)O12 electrolytes

NASA Astrophysics Data System (ADS)

Zhang, L. C.; Yang, J. F.; Gao, Y. X.; Wang, X. P.; Fang, Q. F.; Chen, C. H.

2017-07-01

The cubic Ca/Ta-substituted Li6.55(La2.95Ca0.05)(Zr1.5Ta0.5)O12 (LLCZTO) electrolytes were synthesized at 800 °C with Li3BO3 as additives. The optimal amount of Li3BO3 and its influences on the microstructure, crystal structures, Li+ conductivity and the stability of the Li6.55(La2.95Ca0.05)(Zr1.5Ta0.5)O12 were studied by SEM, XRD and EIS. Among all the samples, when the molar ratio of Li3BO3 to the Li6.55(La2.95Ca0.05)(Zr1.5Ta0.5)O12 is 4:5, the highest Li+ conductivity of 1.33 × 10-4 S cm-1 at 30 °C is obtained. When the LLCZTO samples are exposed in air, the Li+ conductivity is deteriorated possibly owing to the side reactions between the LLCZTO and the H2O or CO2 in the air. The Li3BO3 addition can alleviate such deterioration of the Li+ conductivity.

On the development of two characteristically different crystal morphology in SiO(2)-MgO-Al (2)O (3)-K (2)O-B (2)O (3)-F glass-ceramic system.

PubMed

Roy, Shibayan; Basu, Bikramjit

2009-01-01

The present work demonstrates how crystals with two different characteristic morphologies can be formed in SiO(2)-MgO-Al(2)O(3)-K(2)O-B(2)O(3)-F glass-ceramic system by adopting two sets of heat treatment experiments. In our study, single stage heat treatment experiments were performed at 1,000 degrees C for varying holding time of 8-24 h with 4 h time interval and as a function of temperature in the range of 1,000-1,120 degrees C with 40 degrees C temperature interval. The constant heating rate of 10 degrees C/min was employed for both sets of experiments. The microstructural changes were investigated using Fourier transformed infrared spectroscopy (FT-IR), SEM-EDS and XRD. For temperature variation batches, the microstructure is characterized by interlocked, randomly oriented mica plates ('house-of-cards' morphology). An important and new observation of complex crystal morphology is made in the samples heat treated at 1,000 degrees C for varying holding times. Such morphology appears to be the results of composite spherulitic-dendritic like growth of mica rods radiating from a central nucleus. The possible mechanism for such characteristic crystal growth morphology is discussed with reference to a nucleation-growth kinetics based model. The activation energy for crystal nucleation and Avrami index are computed to be 388 kJ/mol and 1.3 respectively, assuming Johnson-Mehl-Avrami model of crystallization. Another important result is that a maximum of around 70% of spherulitic-dendritic like crystal morphology can be obtained after heat treatment at 1,000 degrees C for 24 h, while a lower amount (approximately 58%) of interlocked plate like mica crystals is formed after heat treatment at 1,040 degrees C for 4 h.

Transformation from an easy-plane to an easy-axis antiferromagnetic structure in the mixed rare-earth ferroborates Pr x Y1-x Fe3(BO3)4: magnetic properties and crystal field calculations.

PubMed

Pankrats, A I; Demidov, A A; Ritter, C; Velikanov, D A; Semenov, S V; Tugarinov, V I; Temerov, V L; Gudim, I A

2016-10-05

The magnetic structure of the mixed rare-earth system Pr x Y1-x Fe3(BO3)4 (x  =  0.75, 0.67, 0.55, 0.45, 0.25) was studied via magnetic and resonance measurements. These data evidence the successive spin reorientation from the easy-axis antiferromagnetic structure formed in PrFe3(BO3)4 to the easy-plane one of YFe3(BO3)4 associated with the weakening of the magnetic anisotropy of the Pr subsystem due to its diamagnetic dilution by nonmagnetic Y. This reorientation occurs through the formation of an inclined magnetic structure, as was confirmed by our previous neutron research in the range of x  =  0.67 ÷ 0.45. In the compounds with x  =  0.75 and 0.67 whose magnetic structure is close to the easy-axis one, a two-step spin reorientation takes place in the magnetic field H||c. Such a peculiarity is explained by the formation of an interjacent inclined magnetic structure with magnetic moments of Fe ions located closer to the basal plane than in the initial state, with these intermediate states remaining stable in some ranges of the magnetic field. An approach based on a crystal field model for the Pr(3+) ion and the molecular-field approximation is used to describe the magnetic characteristics of the system Pr x Y1-x Fe3(BO3)4. With the parameters of the d-d and f-d exchange interactions, of the magnetic anisotropy of the iron subsystem and of the crystal field parameters of praseodymium thus determined, it is possible to achieve a good agreement between the experimental and calculated temperature and field dependences of the magnetization curves (up to 90 kOe) and magnetic susceptibilities (2-300 K).

Alignment of CH{sub 3}F in para-H{sub 2} crystal studied by IR quantum cascade laser polarization spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kawasaki, Hiroyuki; Mizoguchi, Asao; Kanamori, Hideto

In order to investigate the alignment of CH{sub 3}F in para-H{sub 2} crystals, high resolution polarization spectroscopy of the ν{sub 3} vibrational band is studied using a quantum cascade laser at 1040 cm{sup −1}. It is found that the main and satellite series of peaks in the ν{sub 3} vibrational band of CH{sub 3}F have the same polarization dependence. This result supports the previously proposed cluster model with ortho-H{sub 2} in first and second nearest neighbor sites. The observed polarization dependence function is well described by a simple six-axis void model in which CH{sub 3}F is not aligned along themore » c-axis of the crystal but tilted to 64.9(3)° from it.« less

Host composition dependent tunable multicolor emission in the single-phase Ba2(Ln(1-z)Tb(z))(BO3)2Cl:Eu phosphors.

PubMed

Xia, Zhiguo; Zhuang, Jiaqing; Meijerink, Andries; Jing, Xiping

2013-05-14

A new strategy based on the host composition design has been adopted to obtain efficient color-tunable emission from Ba2Ln(0.97-z)Tb(z)(BO3)2Cl:0.03Eu (Ln = Y, Gd and Lu, z = 0-0.97) phosphors. This study reveals that the single-phase Ba2Ln(1-z)Tb(z)(BO3)2Cl compounds can be applied to use allowed Eu(2+) absorption transitions to sensitize Eu(3+) emission via the energy transfer Eu(2+) → (Tb(3+))n → Eu(3+). The powder X-ray diffraction (XRD) and Rietveld refinement analysis shows single-phase Ba2Ln(1-z)Tb(z)(BO3)2Cl. As-prepared Ba2Ln(0.97-z)Tb(z)(BO3)2Cl:0.03Eu phosphors show intense green, yellow, orange and red emission under 377 nm near ultraviolet (n-UV) excitation due to a variation in the relative intensities of the Eu(2+), Tb(3+) and Eu(3+) emission depending on the Tb content (z) in the host composition, allowing color tuning. The variation in emission color is explained by energy transfer and has been investigated by photoluminescence and lifetime measurements and is further characterized by the Commission Internationale de l'éclairage (CIE) chromaticity indexes. The quantum efficiencies of the phosphors are high, up to 74%, and show good thermal stabilities up to 150 °C. This investigation demonstrates the possibility to sensitize Eu(3+) line emission by Eu(2+)via energy migration over Tb(3+) resulting in efficient color tunable phosphors which are promising for use in solid-state white light-emitting diodes (w-LEDs).

Effect of cryogenic temperature on spectroscopic and laser properties of Er,La:SrF2-CaF2 crystal

NASA Astrophysics Data System (ADS)

Švejkar, Richard; Šulc, Jan; Němec, Michal; Jelínková, Helena; Doroshenko, Maxim E.; Nakladov, Andrei N.; Osiko, Vjatcheslav V.

2016-03-01

The laser and spectroscopic properties of crystal Er,La:SrF2-CaF2 at temperature range 80 - 300 K, which is appropriate for generation of radiation around 2.7 um is presented. The sample of Er,La:SrF2-CaF2 (concentration Er(0.04), La(0.12):Ca(0.77)Sr(0.07)) had plan-parallel face-polished faces without anti-reflection coatings (thickness 8.2 mm). During spectroscopy and laser experiments the Er,La:SrF2-CaF2 was attached to temperature controlled copper holder and it was placed in vacuum chamber. The transmission and emission spectra of Er,La:SrF2-CaF2 together with the fluorescence decay time were measured in dependence on temperature. The excitation of Er,La:SrF2-CaF2 was carried out by a laser diode radiation (pulse duration 5 ms, repetition rate 20 Hz, pump wavelength 973 nm). Laser resonator was hemispherical, 140 mm in length with at pumping mirror (HR @ 2.7 µm) and spherical output coupler (r = 150 mm, R = 95 % @ 2.5 - 2.8 µm). Tunability of laser at 80 K in range 2690 - 2765 nm was obtained using MgF2 birefringent filter. With decreasing temperature of sample the fluorescence lifetime of manifold 4I11/2 (upper laser level) became shorter and intensity of up-conversion radiation was increasing. The highest slope efficiency with respect to absorbed power was 2.3 % at 80 K. The maximum output of peak amplitude power was 0.3 W at 80 K, i.e. 1.5 times higher than measured this value at 300 K. The wavelength generated by Er,La:SrF2-CaF2 laser (2.7 µm) is relatively close to absorption peak of water (3 µm) and so, one of the possible usage should be in medicine and spectroscopy.

Synthesis, structure, and electronic structure calculation of a new centrosymmetric borate Pb{sub 2}O[BO{sub 2}(OH)] based on anion-centered OPb{sub 4} tetrahedra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Feng; Wang, Li, E-mail: wangliresearch@163.com; Stoumpos, Constantinos C.

2016-08-15

The synthesis, structure, and characterization of a new centrosymmetric borate Pb{sub 2}O[BO{sub 2}(OH)] based on anion-centered OPb{sub 4} tetrahedra are reported. Pb{sub 2}O[BO{sub 2}(OH)] crystallizes in monoclinic space group C2/m with a=12.725(7) Å, b=5.698(3) Å, c=7.344(4) Å, β=116.277(6)°. The electronic band structure and density of states of Pb{sub 2}O[BO{sub 2}(OH)] have been calculated via the density functional theory (DFT). Electron density difference calculation indicates that lone-pair electrons of Pb{sup 2+} cation should be stereoactive. - Graphical abstract: An indirect gap compound of Pb{sub 2}O[BO{sub 2}(OH)] with 2D inorganic layers motif based on OPb{sub 4} tetrahedra has been synthesized and fullmore » characterized by crystallographic, IR, TG, UV–vis-NIR Diffuse Reflectance, and theoretical calculations. Display Omitted - Highlights: • A centrosymmetric borate Pb{sub 2}O[BO{sub 2}(OH)] was synthesized and characterized. • The crystalstructure, electronic band and density states was analyzed. • The lone-pair electrons of Pb{sup 2+} were proved to be stereoactive.« less

New silicate-germanate Cs2Pb2[(Si0.6Ge0.4)2O7] from the series A2Pb2[B2O7], A = K, Cs, B = Si, Ge with the umbrella-like [PbO3]4- group

NASA Astrophysics Data System (ADS)

Belokoneva, Elena L.; Morozov, Ivan A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.

2018-04-01

New silicate-germanate Cs2Pb2[(Si0.6Ge0.4)2O7] was synthesized in multi-components hydrothermal solution with 20 w.% concentration of Cs2CO3 mineralizer, pH = 10. Novel mixed compound belongs to the structure type A2Pb2[B2O7] previously indicated for powders with A = K, B=Si or Ge. Singe crystal structure determination of Cs2Pb2[(Si0.6Ge0.4)2O7] revealed the need for the correction of the space group of the earlier suggested structural model from P-3 to P-3m1, as well as for the splitting of the Pb-atom position. Umbrella-like groups [PbO3]4- are located between [(Si,Ge)O4]4- tetrahedra in mica-like honeycomb layers and play the role of tetrahedra with the Pb-lone-pair as the forth apex. Crystal chemical comparison revealed similarities and differences with the classical structure type of α-celsian Ba[Al2Si2O8] with the tetrahedral double layer. Recently investigated nonlinear optical acentric borates Pb2(BO3)(NO3) and Pb2(BO3)Cl are both related to this structural type, possessing umbrella-like groups [PbO3]4- and honeycomb layers [Pb2(BO3)]+ with the BO3-triangles on the tetrahedral positions.

Fluorine Kα X-Ray Emission Spectra of MgF2, CaF2, SrF2 and BaF2

NASA Astrophysics Data System (ADS)

Sugiura, Chikara; Konishi, Wataru; Shoji, Shizuko; Kojima, Shinjiro

1990-11-01

The fluorine Kα emission spectra in fluorescence from a series of alkaline-earth fluorides MF2 (M=Mg, Ca, Sr and Ba) are measured with a high-resolution two-crystal vacuum spectrometer. An anomalously low intensity of the K1L1 satellite peak arising from 1s-1(2s2p)-1 initial states is observed for SrF2. The measured emission spectra are presented along with the UPS spectra of the F- 2p valence bands obtained by Poole et al. and the fluorine K absorption-edge spectra by Oizumi et al. By using these spectra, the first peak or shoulder in the fluorine K absorption-edge spectra is identified as being due to a core exciton which is formed below the bottom of the conduction band. The binding energy of the exciton is estimated to be 1.3(± 0.3), 1.1(± 0.2), 1.0(± 0.2) and 1.7(± 0.2) eV for MgF2, CaF2, SrF2 and BaF2, respectively.

Growth and laser properties of Nd:Ca 4YO(BO 3) 3 crystal

NASA Astrophysics Data System (ADS)

Zhang, H. J.; Meng, X. L.; Zhu, L.; Wang, C. Q.; Cheng, R. P.; Yu, W. T.; Zhang, S. J.; Sun, L. K.; Chow, Y. T.; Zhang, W. L.; Wang, H.; Wong, K. S.

1999-02-01

Nd:Ca 4YO(BO 3) 3 (Nd:YCOB) crystal was grown by the Czochralski method, and its structure was measured by using a four circle X-ray diffractometer. The transparent spectrum from 200 to 2600 nm was measured at room temperature. The fluorescence spectrum near 1.06 μm showed that the main emission wavelength of Nd:YCOB crystal was centered at 1060.8 nm. Laser output at 1.06 μm has been demonstrated when it was pumped by a Ti:sapphire laser at the wavelength of 794 nm, the highest output power was 68 mW under pumping power of 311 mW, the pumping threshold was 163 mW and slope efficiency was 46.9%. The self-frequency doubled green light has been observed when it was pumped by a Ti:sapphire or a laser diode (LD). A 14.5 mm Nd:YCOB crystal sample cut at ( θ, φ)=(90°, 33°) was used for type I second-frequency generation (SHG) of the 1.06 μm laser pulse. The SHG conversion efficiency was 22%.

Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Kazak, N. V.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Moshkina, E. M.; Trigub, A. L.; Veligzhanin, A. A.; Zubavichus, Y. V.; Solovyov, L. A.; Velikanov, D. A.; Ovchinnikov, S. G.

2017-10-01

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.

Silver(I) complexes of the weakly coordinating solvents SO(2) and CH(2)Cl(2): crystal structures, bonding, and energetics of [Ag(OSO)][Al{OC(CF(3))(3)}(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(CH(2)Cl(2))(2)][SbF(6)].

PubMed

Decken, Andreas; Knapp, Carsten; Nikiforov, Grigori B; Passmore, Jack; Rautiainen, J Mikko; Wang, Xinping; Zeng, Xiaoqing

2009-06-22

Pushing the limits of coordination chemistry: The most weakly coordinated silver complexes of the very weakly coordinating solvents dichloromethane and liquid sulfur dioxide were prepared. Special techniques at low temperatures and the use of weakly coordinating anions allowed structural characterization of [Ag(OSO)][Al{OC(CF(3))(3)}(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(Cl(2)CH(2))(2)][SbF(6)] (see figure). An investigation of the bonding shows that these complexes are mainly stabilized by electrostatic monopole-dipole interactions.The synthetically useful solvent-free silver(I) salt Ag[Al(pftb)(4)] (pftb=--OC(CF(3))(3)) was prepared by metathesis reaction of Li[Al(pftb)(4)] with Ag[SbF(6)] in liquid SO(2). The solvated complexes [Ag(OSO)][Al(pftb)(4)], [Ag(OSO)(2/2)][SbF(6)], and [Ag(CH(2)Cl(2))(2)][SbF(6)] were prepared and isolated by special techniques at low temperatures and structurally characterized by single-crystal X-ray diffraction. The SO(2) complexes provide the first examples of coordination of the very weak Lewis base SO(2) to silver(I). The SO(2) molecule in [Ag(OSO)][Al(pftb)(4)] is eta(1)-O coordinated to Ag(+), while the SO(2) ligands in [Ag(OSO)(2/2)][SbF(6)] bridge two Ag(+) ions in an eta(2)-O,O' (trans,trans) manner. [Ag(CH(2)Cl(2))(2)][SbF(6)] contains [Ag(CH(2)Cl(2))(2)](+) ions linked through [SbF(6)](-) ions to give a polymeric structure. The solid-state silver(I) ion affinities (SIA) of SO(2) and CH(2)Cl(2), based on bond lengths and corresponding valence units in the corresponding complexes and tensimetric titrations of Ag[Al(pftb)(4)] and Ag[SbF(6)] with SO(2) vapor, show that SO(2) is a weaker ligand to Ag(+) than the commonly used weakly coordinating solvent CH(2)Cl(2) and indicated that binding strength of SO(2) to silver(I) in the silver(I) salts increases with increasing size of the corresponding counteranion ([Al(pftb)(4)](-)>[SbF(6)](-)). The experimental findings are in good agreement with theoretical gas-phase ligand

MAS-NMR investigations of the crystallization behaviour of lithium aluminum silicate (LAS) glasses containing P 2O 5 and TiO 2 nucleants

NASA Astrophysics Data System (ADS)

Ananthanarayanan, A.; Kothiyal, G. P.; Montagne, L.; Revel, B.

2010-06-01

Lithium aluminum silicate (LAS) glass of composition (mol%) 20.4Li 2O-4.0Al 2O 3-68.6SiO 2-3.0K 2O-2.6B 2O 3-0.5P 2O 5-0.9TiO 2 was prepared by melt quenching. The glass was then nucleated and crystallized based on differential thermal analysis (DTA) data and was characterized by 29Si, 31P, 11B and 27Al MAS-NMR. XRD and 29Si NMR showed that lithium metasilicate (Li 2SiO 3) is the first phase to c form followed by cristobalite (SiO 2) and lithium disilicate (Li 2Si 2O 5). 29Si MAS-NMR revealed a change in the network structure already for the glasses nucleated at 550 °C. Since crystalline Li 3PO 4, as observed by 31P MAS-NMR, forms concurrently with the silicate phases, we conclude that crystalline Li 3PO 4 does not act as a nucleating agent for lithium silicate phases. Moreover, 31P NMR indicates the formation of M-PO 4 ( M=B, Al or Ti) complexes. The presence of BO 3 and BO 4 structural units in all the glass/glass-ceramic samples is revealed through 11B MAS-NMR. B remains in the residual glass and the crystallization of silicate phases causes a reduction in the number of alkali ions available for charge compensation. As a result, the number of trigonally coordinated B (BO 3) increases at the expense of tetrahedrally coordinated B (BO 4). The 27Al MAS-NMR spectra indicate the presence of tetrahedrally coordinated Al species, which are only slightly perturbed by the crystallization.

Nonstoichiometry in inorganic fluorides: 2. Ionic conductivity of nonstoichiometric M 1 - x R xF2 + x and R 1 - y M yF3 - y crystals ( M = Ca, Sr, Ba; R are rare earth elements)

NASA Astrophysics Data System (ADS)

Sobolev, B. P.; Sorokin, N. I.

2014-11-01

The peak manifestation of nonstoichiometry in fluoride systems in the number of phases with valuable properties and wide homogeneity ranges is 45 MF2- RF3 systems, where M = Ca, Sr, Ba and R are 15 rare earth elements from La to Lu and Y (with Pm and Sc excluded). A deviation from stoichiometry in crystals of the M 1 - x R xF2 + x (CaF2 fluorite type) and R 1 - y M yF3 - y (LaF3 tysonite type) phases is responsible for the fluorine superionic conductivity σ. The range of variation in σ with changes in the qualitative ( M, R) and quantitative ( x, y) compositions in both structure types is very wide. The σ value changes by a factor of 108 in the M 1 - x R xF2 + x phases (at 500 K) and by a factor of 106 in the R 1 - y M yF3 - y phases (at 293 K). Changing compositions, one can also obtain crystals with σ values large enough for their use as fluorine-conducting solid electrolytes. Phases promising for solid electrolytes were revealed in the MFm- RFn systems ( m < n ≤ 4), which were studied within the program of searching for new multicomponent fluoride materials at the Institute of Crystallography, Russian Academy of Sciences (IC RAS). Superionic conductivity is one of the peak manifestations of the influence of defect structure of nonstoichiometric crystals on their properties. The subject of this review is the results of the studies performed at the IC RAS on the ionic conductivity of single crystals of the M 1 - x R xF2 + x and R 1 - y M yF3 - y nonstoichiometric phases.

BiSr3(YO)3(BO3)4: a new gaudefroyite-type rare-earth borate with moderate SHG response.

PubMed

Gao, Jianhua; Li, Shuai

2012-01-02

The synthesis, crystal structure, crystal growth, and characterization of a new noncentrosymmetric rare-earth borate BiSr(3)(YO)(3)(BO(3))(4) are reported. BiSr(3)(YO)(3)(BO(3))(4) belongs to gaudefroyite type of structure and crystallizes in the polar hexagonal space group P6(3) (no. 173) with a = 10.6975(16) Å and c = 6.7222(12) Å. In the structure, the YO(7) polyhedra share edges to form an one-dimensional chain along the [001] direction. These chains are interconnected by the BO(3) group to construct a three-dimensional framework, leaving two kinds of channels for Bi atoms and Sr atoms together with BO(3) groups, respectively. On the basis of the powder second-harmonic generation (SHG) measurement, BiSr(3)(YO)(3)(BO(3))(4) belongs to the phase-matchable class with a SHG response of about 3 × KDP.

Synthesis and luminescence of Ca 4YO(BO 3) 3:Eu 3+ for fluorescent lamp application

NASA Astrophysics Data System (ADS)

Kuo, Te-Wen; Chen, Teng-Ming

2010-07-01

The red-emitting Ca 4YO(BO 3) 3:Eu 3+ phosphor has been prepared at 1200 °C by the simple solid-state reaction. This preparation temperature is much lower than Y 2O 3:Eu 3+ (1400-1500 °C) for conventional solid-state reaction method. In particular, the complete process to produce high-quality phosphor particles was carried out through the single-step heat treatment of the mixture of corresponding oxide-type metal sources. For this material, the XRD, PL, PL excitation (PLE) and SEM features have also been investigated. The X-ray diffraction data indicate that pure phase of Ca 4YO(BO 3) 3:Eu 3+ can be successfully obtained. Among the different emission transitions 5D 0 → 7F J=0, 1, 2, 3, 4 of this phosphor, one particular transition ( 5D 0 → 7F 2) at 610 nm has been found. Besides carrying out these essential measurements, we have also made an attempt to observe a strong red emission performance displayed by this phosphor for use as coating material on compact fluorescent lamps (CFLs). The results clearly indicate that the life time based on Ca 4YO(BO 3) 3:Eu 3+ was found to be much longer than that using Y 2O 3:Eu 3+. The good performances of the CFLs demonstrate that this phosphor may be suitable for application on short ultraviolet fluorescent lamp.

The role of BoFLC2 in cauliflower (Brassica oleracea var. botrytis L.) reproductive development

PubMed Central

Ridge, Stephen; Brown, Philip H.; Hecht, Valérie; Driessen, Ronald G.; Weller, James L.

2015-01-01

In agricultural species that are sexually propagated or whose marketable organ is a reproductive structure, management of the flowering process is critical. Inflorescence development in cauliflower is particularly complex, presenting unique challenges for those seeking to predict and manage flowering time. In this study, an integrated physiological and molecular approach was used to clarify the environmental control of cauliflower reproductive development at the molecular level. A functional allele of BoFLC2 was identified for the first time in an annual brassica, along with an allele disrupted by a frameshift mutation (boflc2). In a segregating F2 population derived from a cross between late-flowering (BoFLC2) and early-flowering (boflc2) lines, this gene behaved in a dosage-dependent manner and accounted for up to 65% of flowering time variation. Transcription of BoFLC genes was reduced by vernalization, with the floral integrator BoFT responding inversely. Overall expression of BoFT was significantly higher in early-flowering boflc2 lines, supporting the idea that BoFLC2 plays a key role in maintaining the vegetative state. A homologue of Arabidopsis VIN3 was isolated for the first time in a brassica crop species and was up-regulated by two days of vernalization, in contrast to findings in Arabidopsis where prolonged exposure to cold was required to elicit up-regulation. The correlations observed between gene expression and flowering time in controlled-environment experiments were validated with gene expression analyses of cauliflowers grown outdoors under ‘natural’ vernalizing conditions, indicating potential for transcript levels of flowering genes to form the basis of predictive assays for curd initiation and flowering time. PMID:25355864

Highly efficient dual-wavelength mid-infrared CW Laser in diode end-pumped Er:SrF2 single crystals

PubMed Central

Ma, Weiwei; Qian, Xiaobo; Wang, Jingya; Liu, Jingjing; Fan, Xiuwei; Liu, Jie; Su, Liangbi; Xu, Jun

2016-01-01

The spectral properties and laser performance of Er:SrF2 single crystals were investigated and compared with Er:CaF2. Er:SrF2 crystals have larger absorption cross-sections at the pumping wavelength, larger mid-infrared stimulated emission cross-sections and much longer fluorescence lifetimes of the upper laser level (Er3+:4I11/2 level) than those of Er:CaF2 crystals. Dual-wavelength continuous-wave (CW) lasers around 2.8 μm were demonstrated in both 4at.% and 10at.% Er:SrF2 single crystals under 972 nm laser diode (LD) end pumping. The laser wavelengths are 2789.3 nm and 2791.8 nm in the former, and 2786.4 nm and 2790.7 nm in the latter, respectively. The best laser performance has been demonstrated in lightly doped 4at.% Er:SrF2 with a low threshold of 0.100 W, a high slope efficiency of 22.0%, an maximum output power of 0.483 W. PMID:27811994

Highly efficient dual-wavelength mid-infrared CW Laser in diode end-pumped Er:SrF2 single crystals.

PubMed

Ma, Weiwei; Qian, Xiaobo; Wang, Jingya; Liu, Jingjing; Fan, Xiuwei; Liu, Jie; Su, Liangbi; Xu, Jun

2016-11-04

The spectral properties and laser performance of Er:SrF 2 single crystals were investigated and compared with Er:CaF 2 . Er:SrF 2 crystals have larger absorption cross-sections at the pumping wavelength, larger mid-infrared stimulated emission cross-sections and much longer fluorescence lifetimes of the upper laser level (Er 3+ : 4 I 11/2 level) than those of Er:CaF 2 crystals. Dual-wavelength continuous-wave (CW) lasers around 2.8 μm were demonstrated in both 4at.% and 10at.% Er:SrF 2 single crystals under 972 nm laser diode (LD) end pumping. The laser wavelengths are 2789.3 nm and 2791.8 nm in the former, and 2786.4 nm and 2790.7 nm in the latter, respectively. The best laser performance has been demonstrated in lightly doped 4at.% Er:SrF 2 with a low threshold of 0.100 W, a high slope efficiency of 22.0%, an maximum output power of 0.483 W.

Highly efficient dual-wavelength mid-infrared CW Laser in diode end-pumped Er:SrF2 single crystals

NASA Astrophysics Data System (ADS)

Ma, Weiwei; Qian, Xiaobo; Wang, Jingya; Liu, Jingjing; Fan, Xiuwei; Liu, Jie; Su, Liangbi; Xu, Jun

2016-11-01

The spectral properties and laser performance of Er:SrF2 single crystals were investigated and compared with Er:CaF2. Er:SrF2 crystals have larger absorption cross-sections at the pumping wavelength, larger mid-infrared stimulated emission cross-sections and much longer fluorescence lifetimes of the upper laser level (Er3+:4I11/2 level) than those of Er:CaF2 crystals. Dual-wavelength continuous-wave (CW) lasers around 2.8 μm were demonstrated in both 4at.% and 10at.% Er:SrF2 single crystals under 972 nm laser diode (LD) end pumping. The laser wavelengths are 2789.3 nm and 2791.8 nm in the former, and 2786.4 nm and 2790.7 nm in the latter, respectively. The best laser performance has been demonstrated in lightly doped 4at.% Er:SrF2 with a low threshold of 0.100 W, a high slope efficiency of 22.0%, an maximum output power of 0.483 W.

40 CFR 721.1730 - Poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2013 CFR

2013-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1730 Section 721.1730 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy, ester with boric...

40 CFR 721.1730 - Poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2014 CFR

2014-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1730 Section 721.1730 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy, ester with boric...

40 CFR 721.1731 - Poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2012 CFR

2012-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1731 Section 721.1731 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric...

40 CFR 721.1731 - Poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2010 CFR

2010-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1731 Section 721.1731 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric...

40 CFR 721.1731 - Poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2011 CFR

2011-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1731 Section 721.1731 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric...

40 CFR 721.1731 - Poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2013 CFR

2013-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1731 Section 721.1731 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric...

40 CFR 721.1730 - Poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2012 CFR

2012-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1730 Section 721.1730 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-butyl-ω-hydroxy, ester with boric...

40 CFR 721.1731 - Poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric acid (H3BO3).

Code of Federal Regulations, 2014 CFR

2014-07-01

...-hydroxy, ester with boric acid (H3BO3). 721.1731 Section 721.1731 Protection of Environment ENVIRONMENTAL..., ester with boric acid (H3BO3). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as poly(oxy-1,2-ethanediyl), α-methyl-ω-hydroxy, ester with boric...

Radiation coloring of nonstoichiometric M(1-x)R(x)F(2+x) single crystals with a fluorite defect structure

NASA Astrophysics Data System (ADS)

Rustamov, Ia.; Tavshunskii, G. A.; Khabibullaev, P. K.; Bessonova, T. S.; Sobolev, B. P.

1985-06-01

Experimental results are reported concerning the radiation coloring of nonstoichiometric crystals of the M(1-x)R(x)F(2+x) type in the presence of fluorite defects. Samples of the crystals are cut using the Stockbarger technique in a chemically active fluoridating atmosphere generated by pyrolysis of tetrafluoroethylene. The samples were irradiated at 77 and 300 K using a Co-60 gamma-ray source and the total doses were in the range 10 to the 6th to 10 to the 7th roentgen. Absorption spectra of the crystals were analogous spectra for MF2-RF3 single crystals with RF 3 contents of less than 1 mole percent. It is shown that the properties of radiation coloring of the two types of crystal are very different: F-centers formed at 300 K in Ca(1-x)R(x) F(2+x), but not at 77 K. Complex color centers were observed at 77 K in Ca(1-x)R(x)F(2+x) single crystals and the intensity of the centers was determined by the competition among the electron trapping processes involving the r3(+) ions. It is concluded that the coloring characteristics of the M(1-x)R(x)F(2+x) crystals are related to their structural characteristics as compared with the MF2-RF3 crystals.

Generation of (F+2)_AH Centres in Sodium Ion Doped KCl:CO^{2-3}

NASA Astrophysics Data System (ADS)

Diaf, M.; Chihi, I.; Hamaïdia, A.; Akrmi, El.

1996-01-01

We demonstrate that (F+2)AH centres of KCl may be obtained from crystals doped with K{2}CO{3} and NaCl, grown by the Czochralski method in open atmosphere. The optical properties of (F+2)AH centres thus produced are exactly the same as those of (F+2)AH centres prepared by the usual technique, which involves superoxide doping and a controlled atmosphere. Nous montrons que les centres (F+2)AH de KCl peuvent être obtenus à partir de cristaux dopés par K{2}CO{3} et NaCl, fabriqués par la méthode de Czochralski à l'air libre. Les propriétés optiques des centres (F+2)AH ainsi produits sont exactement les mêmes que celles des centres (F+2)AH préparés par la technique habituelle, qui comporte le dopage par un superoxyde et l'emploi d'une atmosphère contrôlée.

Impurity optical absorption spectra of ZnGa 2Se 4:Ni 2+ single crystals

NASA Astrophysics Data System (ADS)

Kim, Wha-Tek; Jin, Moon-Seog; Cheon, Seung-Ho; Kim, Yong-Geun; Park, Byong-Seo

1990-04-01

The optical absorption of single crystals of ZnGa 2Se 4:Ni 2+ grown by the chemical transport reaction method was investigated in the temperature region 20-300 K. In the single crystals the impurity optical absorption peaks due to the transitions 3T1( 3F) → 3T2( 3F), 3T1( 3F) → 3A2( 3F) and 3T1( 3F) → 3T1( 3P) of the Ni 2+ ions sited in the host lattice of the ZnGa 2Se 4 single crystal with Td symmetry appeared at 4444, 7874 and 11 600 cm -1, respectively. The crystal-field parameter and the Racah parameter were given by Dq = 340 cm -1 and B = 615 cm -1, respectively. The peak due to the transition 3T1( 3F) → 3T1( 3P) split into four levels by first order spin-orbit-coupling effects of Ni 2+ ions in the lower temperature below 150 K. The spin-orbit-coupling parameter was found to be λ = -400 cm -1.

Growth of congruently melting Ca0.59Sr0.41F2 crystals and study of their properties

NASA Astrophysics Data System (ADS)

Karimov, D. N.; Komar'kova, O. N.; Sorokin, N. I.; Bezhanov, V. A.; Chernov, S. P.; Popov, P. A.; Sobolev, B. P.

2010-05-01

Homogeneous crystals of Ca0.59Sr0.41F2 alloy (sp. gr., Fm bar 3 m, a = 0.56057 nm), corresponding to the point of minimum in the melting curve in the CaF2-SrF2 phase diagram, have been grown by the vertical Bridgman method. The optical, mechanical, electrical, and thermophysical properties of Ca0.59Sr0.41F2 and MF2 crystals ( M = Ca, Sr) have been studied and comparatively analyzed. Ca0.59Sr0.41F2 crystals are transparent in the range of 0.133-11.5 μm, have refractive index n D = 1.436, microhardness H μ = 2.63 ± 0.10 GPa, ion conductivity σ = 5 × 10-5 S/cm at 825 K, and thermal conductivity k = 4.0 W m-1 K-1 at 300 K. It is shown that the optical properties of Ca0.59Sr0.41F2 crystals are intermediate between those of CaF2 and SrF2, whereas their mechanical and electrical characteristics are better than the latter compounds.

Crystal structure and potential physiological role of zebra fish thioesterase superfamily member 2 (fTHEM2)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Shanshan; Li, Han; Gao, Feng

2015-08-07

Thioesterase superfamily member 2 (THEM2) is an essential protein for mammalian cell proliferation. It belongs to the hotdog-fold thioesterase superfamily and catalyzes hydrolysis of thioester bonds of acyl-CoA in vitro, while its in vivo function remains unrevealed. In this study, Zebra fish was selected as a model organism to facilitate the investigations on THEM2. First, we solved the crystal structure of recombinant fTHEM2 at the resolution of 1.80 Å, which displayed a similar scaffolding as hTHEM2. Second, functional studies demonstrated that fTHEM2 is capable of hydrolyzing palmitoyl-CoA in vitro. In addition, injection of morpholino against fTHEM2 at one-cell stage resulted in distorted early embryomore » development, including delayed cell division, retarded development and increased death rate. The above findings validated our hypothesis that fTHEM2 could serve as an ideal surrogate for studying the physiological functions of THEM2. - Highlights: • The crystal structure of recombinant fTHEM2 is presented. • fTHEM2 is capable of hydrolyzing palmitoyl-CoA. • The influence of fTHEM2 on early embryo development is demonstrated.« less

Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F

NASA Astrophysics Data System (ADS)

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.

2016-09-01

Large single crystals of A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F were grown using a high-temperature (~600 °C) hydrothermal technique. Single crystal X-ray diffraction and powder X-ray diffraction were utilized to characterize the structures, which both possess MnO4F2 building blocks. The A2Mn2V2O7F2 series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb2Mn2V2O7F2: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs2Mn2V2O7F2: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed of zigzag chains of edge-sharing MnO4F2 units running along the a-axis, and interconnected through V2O7 pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn2+ indicated that Cs2Mn2V2O7F2 is antiferromagnetic with a Neél temperature, TN=~3 K and a Weiss constant, θ, of -11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V-O vibrational modes in Cs2Mn2V2O7F2. Mn2(VO4)F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn2+. These interpenetrating chains are additionally connected through isolated VO4 tetrahedra to form the condensed structure.

Synthesis and characterization of new fluoride-containing manganese vanadates A 2Mn 2V 2O 7F 2 (A=Rb, Cs) and Mn 2VO 4F

DOE PAGES

Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; ...

2016-05-10

In large single crystals of A 2Mn 2V 2O 7F 2 (A=Rb, Cs) and Mn 2VO 4F were grown using a high-temperature (~600 °C) hydrothermal technique. We utilized single crystal X-ray diffraction and powder X-ray diffraction in order to characterize the structures, which both possess MnO 4F 2 building blocks. The A 2Mn 2V 2O 7F 2 series crystallizes as a new structure type in space group Pbcn (No. 60), Z=4 (Rb 2Mn 2V 2O 7F 2: a=7.4389(17) Å, b=11.574(3) Å, c=10.914(2) Å; Cs 2Mn 2V 2O 7F 2: a=7.5615(15) Å, b=11.745(2) Å, c=11.127(2) Å). The structure is composed ofmore » zigzag chains of edge-sharing MnO 4F 2 units running along the a-axis, and interconnected through V 2O 7 pyrovanadate groups. Temperature dependent magnetic susceptibility measurements on this interesting one-dimensional structural feature based on Mn 2+ indicated that Cs 2Mn 2V 2O 7F 2 is antiferromagnetic with a Neél temperature, TN=~3 K and a Weiss constant, θ, of -11.7(1) K. Raman and infrared spectra were also analyzed to identify the fundamental V–O vibrational modes in Cs 2Mn 2V 2O 7F 2. Mn 2(VO 4)F crystalizes in the monoclinic space group of C2/c (no. 15), Z=8 with unit cell parameters of a=13.559(2) Å, b=6.8036(7) Å, c=10.1408(13) Å and β=116.16(3)°. The structure is associated with those of triplite and wagnerite. Dynamic fluorine disorder gives rise to complex alternating chains of five-and six-coordinate Mn 2+. Our interpenetrating chains are additionally connected through isolated VO 4 tetrahedra to form the condensed structure.« less

Photoelectron spectroscopy and density functional calculations of CunBO2(OH)- (n = 1,2) clusters

NASA Astrophysics Data System (ADS)

Feng, Yuan; Hou, Gao-Lei; Xu, Hong-Guang; Zhang, Zeng-Guang; Zheng, Wei-Jun

2012-08-01

CunBO2(OH)- (n = 1, 2) clusters were studied by anion photoelectron spectroscopy and density functional calculations. From the experimental photoelectron spectra, the adiabatic detachment energy (ADE) and vertical detachment energy (VDE) of CuBO2(OH)- are determined to be 4.00 ± 0.08 and 4.26 ± 0.08 eV, and those of Cu2BO2(OH)- to be 2.30 ± 0.08 and 2.58 ± 0.08 eV. The structures of CunBO2(OH)- and their corresponding neutrals are assigned by comparison between theoretical calculations and experimental measurements. Both experiment and theory show that CuBO2(OH) can be viewed as a superhalogen, thus, confirmed that OH can behave like a halogen atom to participate in superhalogen formation.

Roymillerite, Pb24Mg9(Si9AlO28)(SiO4)(BO3)(CO3)10(OH)14O4, a new mineral: mineralogical characterization and crystal chemistry

NASA Astrophysics Data System (ADS)

Chukanov, Nikita V.; Jonsson, Erik; Aksenov, Sergey M.; Britvin, Sergey N.; Rastsvetaeva, Ramiza K.; Belakovskiy, Dmitriy I.; Van, Konstantin V.

2017-11-01

The new mineral roymillerite Pb24Mg9(Si9AlO28)(SiO4)(BO3)(CO3)10(OH)14O4, related to britvinite and molybdophyllite, was discovered in a Pb-rich assemblage from the Kombat Mine, Grootfontein district, Otjozondjupa region, Namibia, which includes also jacobsite, cerussite, hausmannite, sahlinite, rhodochrosite, barite, grootfonteinite, Mn-Fe oxides, and melanotekite. Roymillerite forms platy single-crystal grains up to 1.5 mm across and up to 0.3 mm thick. The new mineral is transparent, colorless to light pink, with a strong vitreous lustre. Cleavage is perfect on (001). Density calculated using the empirical formula is equal to 5.973 g/cm3. Roymillerite is optically biaxial, negative, α = 1.86(1), β ≈ γ = 1.94(1), 2 V (meas.) = 5(5)°. The IR spectrum shows the presence of britvinite-type tetrahedral sheets, {CO}3^{2 - }, {BO}3^{3 - }, and OH- groups. The chemical composition is (wt%; electron microprobe, H2O and CO2 determined by gas chromatography, the content of B2O3 derived from structural data): MgO 4.93, MnO 1.24, FeO 0.95, PbO 75.38, B2O3 0.50, Al2O3 0.74, CO2 5.83, SiO2 7.90, H2O 1.8, total 99.27. The empirical formula based on 83 O atoms pfu (i.e. Z = 1) is Pb24.12Mg8.74Mn1.25Fe0.94B1.03Al1.04C9.46Si9.39H14.27O83. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is triclinic, space group P \\bar{1}, with a = 9.315(1), b = 9.316(1), c = 26.463(4) Å, α = 83.295(3)°, β = 83.308(3)°, γ = 60.023(2)°, V = 1971.2(6) Å3. The crystal structure of roymillerite is based built by alternating pyrophyllite-type TOT-modules Mg9(OH)8[(Si,Al)10O28] and I-blocks Pb24(OH)6O4(CO3)10(BO3,SiO4). The strongest lines of the powder X-ray diffraction pattern [ d, Å (I, %) ( hkl)] are: 25.9 (100) (001), 13.1 (11) (002), 3.480 (12) (017, 107, -115, 1-15), 3.378 (14) (126, 216), 3.282 (16) (-2-15, -1-25), 3.185 (12) (-116, 1-16), 2.684 (16) (031, 301, 030, 300, 332, -109, 0-19, 1-18), 2.382 (11) (0.0.-11). Roymillerite is

Hindered rotations probed by rare earths in crystals: Er3+ and Tm3+ in BaY2F8

NASA Astrophysics Data System (ADS)

Baraldi, A.; Buffagni, E.; Capelletti, R.; Mazzera, M.; Magnani, N.; Carini, G., Jr.; D'Angelo, G.

2009-10-01

The sharpness of absorption lines induced by crystal-field (CF) transitions of rare earths (RE) can be exploited to disclose the rotational structure usually hidden under the more common broad electronic absorptions. In the present work the effectiveness of such an approach is proved by the analysis of the fine structure (FS) accompanying the Er3+ and Tm3+ CF lines in BaY2F8 single crystals. Sequences of weak, very narrow (0.03-0.1cm-1) , closely spaced (˜0.2-0.8cm-1) lines were monitored in high-resolution (as fine as 0.01cm-1 ), low-temperature (9 K) absorption spectra in the 2000-24000cm-1 range. The FS covers a few cm-1 on both sides of the narrowest among the RE-CF lines and is tightly associated with them, as proved by the amplitude dependence on the RE concentration (in the 0.5-20at.% range) and by linear dichroism measurements. The FS lines vanishing at temperatures as low as 40-60 K and the close spacing suggest that they may be ascribed to the simultaneous excitation of both RE-CF electronic transition and hindered rotation (or libration) mode of RE3+-F- group. The attribution is supported both by the specific structure of the host matrix which allows some F- mobility and by the very small line spacing which is in excellent agreement with the RE3+-F- rotational constant (2B=0.39cm-1) . Complementary specific-heat measurements in the temperature range 1.5-25 K show that Er3+ -doped samples display contributions, in addition to the vibrational one of a pure sample, which scale with the Er3+ concentration. The extra specific heat is interpreted in terms of Schottky anomalies; that peaking at ˜17K accounts for electronic transitions between the lowest sublevels of the I415/2 ground manifold, in agreement with the CF spectroscopy results while those occurring below 3.5 K are consistent with level pairs separated by 0.55 and 0.36cm-1 , in agreement with the FS line spacing.

Properties of blue emitting CaAl2O4:Eu2+, Nd3+ phosphor by optimizing the amount of flux and fuel

NASA Astrophysics Data System (ADS)

Wako, A. H.; Dejene, B. F.; Swart, H. C.

2014-04-01

Long afterglow CaAl2O4:0.03Eu2+, 0.03Nd3+ phosphor was prepared by solution-combustion synthesis. The active role of boric acid (H3BO3) as a flux in enhancing the Eu2+ photoluminescence and the effect of a varied amount of urea (CO (NH2)2) as a fuel on the morphological, structural and photoluminescent (PL) properties of the CaAl2O4:0.03Eu2+, 0.03Nd3+ systems were investigated. The results of X-ray diffraction, scanning electron microscopy, and PL spectra revealed the influence of the dosage of urea and hence the heated process on the crystallinity, morphology, and luminescence of the phosphor. The addition of H3BO3 favoured the formation of a monoclinic CaAl2O4 phase while the variation of the amount of CO (NH2)2 showed mixed phases although still predominantly monoclinic. Both H3BO3 and CO(NH2)2 to some extent influence the luminescence intensity of the obtained phosphor but unlike the case of CO(NH2)2, the presence of H3BO3 did not evidently shift the emission peak due to no obvious change in the energy level difference of the 4f-5d levels. The broad blue emissions consisting mainly of symmetrical bands having maxima between 440 and 445 nm originate from the energy transitions between the ground state (4f7) and the excited state (4f65d1) of the Eu2+ ions while the narrow emissions in the red region (600-630 nm) arise from the 5D0→7F2 transitions of the remnant unreduced Eu3+ions. Higher concentrations of H3BO3 (0.228 mol and 0.285 mol) reduce both intensity and lifetime of the phosphor. The optimized content of H3BO3 was 0.171 mol for the obtained phosphor with the best optical properties.

Ho3+-doped AlF3-TeO2-based glass fibers for 2.1 µm laser applications

NASA Astrophysics Data System (ADS)

Wang, S. B.; Jia, Z. X.; Yao, C. F.; Ohishi, Y.; Qin, G. S.; Qin, W. P.

2017-05-01

Ho3+-doped AlF3-TeO2-based glass fibers based on AlF3-BaF2-CaF2-YF3-SrF2-MgF2-TeO2 glasses are fabricated by using a rod-in-tube method. The glass rod including a core and a thick cladding layer is prepared by using a suction method, where the thick cladding layer is used to protect the core from the effect of surface crystallization during the fiber drawing. By inserting the glass rod into a glass tube, the glass fibers with relatively low loss (~2.3 dB m-1 @ 1560 nm) are prepared. By using a 38 cm long Ho3+-doped AlF3-TeO2-based glass fiber as the gain medium and a 1965 nm fiber laser as the pump source, 2065 nm lasing is obtained for a threshold pump power of ~220 mW. With further increasing the pump power to ~325 mW, the unsaturated output power of the 2065 nm laser is about 82 mW and the corresponding slope efficiency is up to 68.8%. The effects of the gain fiber length on the lasing threshold, the slope efficiency, and the operating wavelength are also investigated. Our experimental results show that Ho3+-doped AlF3-TeO2-based glass fibers are promising gain media for 2.1 µm laser applications.

Dependences of the density of M 1- x R x F2 + x and R 1- y M y F3- y single crystals ( M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Krivandina, E. A.; Zhmurova, Z. I.

2013-11-01

The density of single crystals of nonstoichiometric phases Ba1 - x La x F2 + x (0 ≤ x ≤ 0.5) and Sr0.8La0.2 - x Lu x F2.2 (0 ≤ x ≤ 0.2) with the fluorite (CaF2) structure type and R 1 - y Sr y F3 - y ( R = Pr, Nd; 0 ≤ y ≤ 0.15) with the tysonite (LaF3) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement the composition control of single crystals of superionic conductors M 1 - x R x F2 + x and R 1 - y M y F3 - y in practice, calibration graphs of X-ray density in the MF2- RF3 systems ( M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.

Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ.

PubMed

Ji, Li-Fei; Fan, Jian-Xun; Zhang, Shou-Feng; Ren, Ai-Min

2018-01-31

2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F 2 -TCNQ) was recently reported to display excellent electron transport properties in single crystal field-effect transistors (FETs). Its carrier mobility can reach 25 cm 2 V -1 s -1 in devices. However, its counterparts TCNQ and F 4 -TCNQ (tetrafluoro-7,7,8,8-tetracyanoquinodimethane) do not exhibit the same highly efficient behavior. To better understand this significant difference in charge carrier mobility, a multiscale approach combining semiclassical Marcus hopping theory, a quantum nuclear enabled hopping model and molecular dynamics simulations was performed to assess the electron mobilities of the F n -TCNQ (n = 0, 2, 4) systems in this work. The results indicated that the outstanding electron transport behavior of F 2 -TCNQ arises from its effective 3D charge carrier percolation network due to its special packing motif and the nuclear tunneling effect. Moreover, the poor transport properties of TCNQ and F 4 -TCNQ stem from their invalid packing and strong thermal disorder. It was found that Marcus theory underestimated the mobilities for all the systems, while the quantum model with the nuclear tunneling effect provided reasonable results compared to experiments. Moreover, the band-like transport behavior of F 2 -TCNQ was well described by the quantum nuclear enabled hopping model. In addition, quantum theory of atoms in molecules (QTAIM) analysis and symmetry-adapted perturbation theory (SAPT) were used to characterize the intermolecular interactions in TCNQ, F 2 -TCNQ and F 4 -TCNQ crystals. A primary understanding of various noncovalent interaction responses for crystal formation is crucial to understand the structure-property relationships in organic molecular materials.

Pr:Ca1-xRxF2+x (R=Y or Gd) crystals: Modulated blue, orange and red emission spectra with the proportion of R3+ ions

NASA Astrophysics Data System (ADS)

Yu, Hao; Qian, Xiaobo; Guo, Linyang; Jiang, Dapeng; Wu, Qinghui; Tang, Fei; Su, Liangbi; Ju, Qiangwen; Wang, Jingya; Xu, Jun

2018-04-01

The spectroscopic properties of 0.6at.%:Pr:Ca1-xRxF2+x (R = Y, Gd; x = 0,0.006, 0.012, 0.03, 0.06) crystals were investigated and compared. The XRD tests were conducted and the cell dimensions of the crystals were calculated. Room temperature absorption spectra have been registered and analyzed. The emission spectra and decay curves of the crystals were obtained at room temperature. Increasing the proportion of the lattice regulators of Y3+ or Gd3+ ions could significantly enhance the luminescence intensity of all visible emission bands with different ratios. Particularly, the emission intensity ratio of orange to red increased from 0.15 to 1.9 in Pr:Ca1-xYxF2+x crystals and to 1.02 in Pr:Ca1-xGdxF2+x crystals, respectively. Furthermore, Pr:Ca1-xGdxF2+x crystals have substantially strong emission at orange and red region of 580-660 nm, comparable with blue light at 482 nm. The quantum efficiency of the crystals increased rapidly with the increment of R3+ concentration, and finally tend to be 100%.

Ba2F2Fe(1.5)Se3: An Intergrowth Compound Containing Iron Selenide Layers.

PubMed

Driss, Dalel; Janod, Etienne; Corraze, Benoit; Guillot-Deudon, Catherine; Cario, Laurent

2016-03-21

The iron selenide compound Ba2F2Fe(1.5)Se3 was synthesized by a high-temperature ceramic method. The single-crystal X-ray structure determination revealed a layered-like structure built on [Ba2F2](2+) layers of the fluorite type and iron selenide layers [Fe(1.5)Se3](2-). These [Fe1.5Se3](2-) layers contain iron in two valence states, namely, Fe(II+) and Fe(III+) located in octahedral and tetrahedral sites, respectively. Magnetic measurements are consistent with a high-spin state for Fe(II+) and an intermediate-spin state for Fe(III+). Moreover, susceptibility and resistivity measurements demonstrate that Ba2F2Fe(1.5)Se3 is an antiferromagnetic insulator.

Directionally solidified Eu doped CaF2/Li3AlF6 eutectic scintillator for neutron detection

NASA Astrophysics Data System (ADS)

Kamada, Kei; Hishinuma, Kousuke; Kurosawa, Shunsuke; Shoji, Yasuhiro; Pejchal, Jan; Ohashi, Yuji; Yokota, Yuui; Yoshikawa, Akira

2015-12-01

Eu doped CaF2/Li3AlF6 eutectics were grown by μ-PD method. The directionally solidified eutectic with well-aligned 600 nm diameter Eu:CaF2 scintillator fibers surrounded with Li3AlF6 was prepared. The grown eutectics showed an emission peak at 422 nm ascribed to Eu2+ 4f-5d transition from Eu:CaF2 scintillation fiber. Li concentration in the Eu:CaF2-Li3AlF6 eutectic is around 0.038 mol/cm3,which is two times higher than that of LiCaAlF6 single crystal (0.016 mol/cm3). The light yield of Eu:CaF2-Li3AlF6 eutectic was around 7000 ph/neutron. The decay time was about 550 ns (89%) and 1450 ns (11%).

Knowledge Base Editor (SharpKBE)

NASA Technical Reports Server (NTRS)

Tikidjian, Raffi; James, Mark; Mackey, Ryan

2007-01-01

The SharpKBE software provides a graphical user interface environment for domain experts to build and manage knowledge base systems. Knowledge bases can be exported/translated to various target languages automatically, including customizable target languages.

Effect of ZrO(2) additions on the crystallization, mechanical and biological properties of MgO-CaO-SiO(2)-P(2)O(5)-CaF(2) bioactive glass-ceramics.

PubMed

Li, H C; Wang, D G; Meng, X G; Chen, C Z

2014-06-01

A series of ZrO(2) doped MgO-CaO-SiO(2)-P(2)O(5)-CaF(2) bioactive glass-ceramics were obtained by sintering method. The crystallization behavior, phase composition, morphology and structure of glass-ceramics were characterized. The bending strength, elastic modulus, fracture toughness, micro-hardness and thermal expansion coefficient (TEC) of glass-ceramics were investigated. The in vitro bioactivity and cytotoxicity tests were used to evaluate the bioactivity and biocompatibility of glass-ceramics. The sedimentation mechanism and growth process of apatites on sample surface were discussed. The results showed that the mainly crystalline phases of glass-ceramics were Ca(5)(PO4)3F (fluorapatite) and β-CaSiO(3). (β-wollastonite). m-ZrO(2) (monoclinic zirconia) declined the crystallization temperatures of glasses. t-ZrO(2) (tetragonal zirconia) increased the crystallization temperature of Ca(5)(PO4)(3)F and declined the crystallization temperature of β-CaSiO(3). t-ZrO(2) greatly increased the fracture toughness, bending strength and micro-hardness of glass-ceramics. The nanometer apatites were induced on the surface of glass-ceramic after soaking 28 days in SBF (simulated body fluid), indicating the glass-ceramic has good bioactivity. The in vitro cytotoxicity test demonstrated the glass-ceramic has no toxicity to cell. Copyright © 2014 Elsevier B.V. All rights reserved.

Optimization of single crystals of solid electrolytes with tysonite-type structure (LaF3) for conductivity at 293 K: 2. Nonstoichiometric phases R 1- y M y F3- y ( R = La-Lu, Y; M = Sr, Ba)

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Sobolev, B. P.; Krivandina, E. A.; Zhmurova, Z. I.

2015-01-01

Single crystals of fluorine-conducting solid electrolytes R 1 - y Sr y F3 - y and R 1 - y Ba y F3 - y ( R = La-Lu, Y) with a tysonite-type structure (LaF3) have been optimized for room-temperature conductivity σ293 K. The optimization is based on high-temperature measurements of σ( T) in two-component nonstoichiometric phases R 1 - y M y F3 - y ( M = Sr, Ba) as a function of the MF2 content. Optimization for thermal stability is based on studying the phase diagrams of MF2- RF3 systems ( M = Sr, Ba) and the behavior of nonstoichiometric crystals upon heating when measuring temperature dependences σ( T). Single crystals of many studied R 1 - y Sr y F3 - y and R 1 - y Ba y F3 - y phases have σ293 K values large enough to use these materials in solid-state electrochemical devices (chemical sensors, fluorine-ion batteries, accumulators, etc.) operating at room temperature.

Twinned or not twinned, that is the question: crystallization and preliminary crystallographic analysis of the 2F1(3)F1 module pair of human fibronectin.

PubMed

Rudiño-Piñera, Enrique; Schwarz-Linek, Ulrich; Potts, Jennifer R; Garman, Elspeth F

2004-07-01

Human fibronectin (Fn) is a large multidomain protein found in the extracellular matrix and plasma. It is involved in many cellular processes, including cell adhesion and migration during embryogenesis and wound healing. The ability to bind Fn is a characteristic that has been demonstrated for a number of pathogens. For Staphylococcus aureus and Streptococcus pyogenes in particular, Fn-binding bacterial proteins (FnBPs) have been shown to mediate not only bacterial adhesion to host cells but also the uptake of bacteria by the cells. FnBPs interact with the amino-terminal region of Fn, where five type I ((1-5)F1) Fn modules are located. Although the structures of two F1 module pairs have been determined by NMR, no X-ray structures have been reported. To explore the conformational interactions between modules and the binding properties of FnBPs, the (2)F1(3)F1 module pair was crystallized using the vapour-diffusion method at 298 K. 12 X-ray diffraction data sets have been collected: six on an in-house rotating anode (three native, one Pt derivative and two peptide-bound) and six at synchrotron-radiation sources (two native and four derivative). Following analysis of these data, some of which have very high multiplicity (up to 50), probable space-group assignments were made (P42(1)2, P4(1)2(1)2 or P4(3)2(1)2) and the possibly twinned nature of the crystals was investigated using six different tests. The results presented here suggest that the crystals are not twinned.

Metal-to-metal charge transfer between dopant and host ions: Photoconductivity of Yb-doped CaF{sub 2} and SrF{sub 2} crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barandiarán, Zoila, E-mail: zoila.barandiaran@uam.es; Seijo, Luis; Instituto Universitario de Ciencia de Materiales Nicolás Cabrera and Condensed Matter Physics Center

2015-10-14

Dopant-to-host electron transfer is calculated using ab initio wavefunction-based embedded cluster methods for Yb/Ca pairs in CaF{sub 2} and Yb/Sr pairs in SrF{sub 2} crystals to investigate the mechanism of photoconductivity. The results show that, in these crystals, dopant-to-host electron transfer is a two-photon process mediated by the 4f{sup N−1}5d excited states of Y b{sup 2+}: these are reached by the first photon excitation; then, they absorb the second photon, which provokes the Y b{sup 2+} + Ca{sup 2+} (Sr{sup 2+}) → Y b{sup 3+} + Ca{sup +} (Sr{sup +}) electron phototransfer. This mechanism applies to all the observed Ymore » b{sup 2+} 4f–5d absorption bands with the exception of the first one: Electron transfer cannot occur at the first band wavelengths in CaF{sub 2}:Y b{sup 2+} because the Y b{sup 3+}–Ca{sup +} states are not reached by the two-photon absorption. In contrast, Yb-to-host electron transfer is possible in SrF{sub 2}:Y b{sup 2+} at the wavelengths of the first 4f–5d absorption band, but the mechanism is different from that described above: first, the two-photon excitation process occurs within the Y b{sup 2+} active center, then, non-radiative Yb-to-Sr electron transfer can occur. All of these features allow to interpret consistently available photoconductivity experiments in these materials, including the modulation of the photoconductivity by the absorption spectrum, the differences in photoconductivity thresholds observed in both hosts, and the peculiar photosensitivity observed in the SrF{sub 2} host, associated with the lowest 4f–5d band.« less

Photocatalytic Active Bismuth Fluoride/Oxyfluoride Surface Crystallized 2Bi2O3-B2O3 Glass-Ceramics

NASA Astrophysics Data System (ADS)

Sharma, Sumeet Kumar; Singh, V. P.; Chauhan, Vishal S.; Kushwaha, H. S.; Vaish, Rahul

2018-03-01

The present article deals with 2Bi2O3-B2O3 (BBO) glass whose photocatalytic activity has been enhanced by the method of wet etching using an aqueous solution of hydrofluoric acid (HF). X-ray diffraction of the samples reveals that etching with an aqueous solution of HF leads to the formation of BiF3 and BiO0.1F2.8 phases. Surface morphology obtained from scanning electron microscopy show granular and plate-like morphology on the etched glass samples. Rhodamine 6G (Rh 6G) has been used to investigate the photocatalytic activity of the as-quenched and etched glasses. Enhanced visible light-driven photocatalytic activity was observed in HF etched glass-ceramics compared to the as-quenched BBO glass. Contact angle of the as-quenched glass was 90.2°, which decreases up to 20.02° with an increase in concentration of HF in the etching solution. Enhanced photocatalytic activity and increase in the hydrophilic nature suggests the efficient treatment of water pollutants by using the prepared surface crystallized glass-ceramics.

Efficient continuous-wave, broadly tunable and passive Q-switching lasers based on a Tm3+:CaF2 crystal

NASA Astrophysics Data System (ADS)

Liu, Jingjing; Zhang, Cheng; Zu, Yuqian; Fan, Xiuwei; Liu, Jie; Guo, Xinsheng; Qian, Xiaobo; Su, Liangbi

2018-04-01

Laser operations in the continuous-wave as well as in the pulsed regime of a 4 at.% Tm3+:CaF2 crystal are reported. For the continuous-wave operation, a maximum average output power of 1.15 W was achieved, and the corresponding slope efficiency was more than 64%. A continuous tuning range of about 160 nm from 1877-2036 nm was achieved using a birefringent filter. Using Argentum nanorods as a saturable absorber, the significant pulsed operation of a passively Q-switched Tm3+:CaF2 laser was observed at 1935.4 nm for the first time, to the best of our knowledge. A maximum output power of 385 mW with 41.4 µJ pulse energy was obtained under an absorbed pump power of 2.04 W. The present results indicate that the Tm3+:CaF2 lasers could be promising laser sources to operate in the eye-safe spectral region.

Spectroscopic and crystal-field analysis of new Yb-doped laser materials

NASA Astrophysics Data System (ADS)

Haumesser, Paul-Henri; Gaumé, Romain; Viana, Bruno; Antic-Fidancev, Elisabeth; Vivien, Daniel

2001-06-01

Crystal-field effects are very important as far as laser performances of Yb-doped materials are concerned. In order to simplify the interpretation of low-temperature spectra, two tools derived from a careful examination of crystal-field interaction are presented. Both approaches are successfully applied in the case of new Yb-doped materials, namely Ca3Y2(BO3)4 (CYB), Ca3Gd2(BO3)4 (CaGB), Sr3Y(BO3)3 (SrYBO), Ba3Lu(BO3)3 (BLuB), Y2SiO5 (YSO), Ca2Al2SiO7 (CAS) and SrY4(SiO4)3O (SYS). The 2F7/2 splitting is particularly large in these materials and favourable to a quasi-three-level laser operating scheme. Calculations performed using the point charge electrostatic model for these compounds and using a consistent set of effective atomic charges confirm the experimental results. This should permit to use this model in a predictive approach.

Spectroscopic properties and energy transfer analysis of Tm3+-doped BaF2-Ga2O3-GeO2-La2O3 glass.

PubMed

Yu, Shenglei; Yang, Zhongmin; Xu, Shanhui

2010-05-01

This paper reports on the spectroscopic properties and energy transfer analysis of Tm(3+)-doped BaF(2)-Ga(2)O(3)-GeO(2)-La(2)O(3) glasses with different Tm(2)O(3) doping concentrations (0.2, 0.5, 2.0, 2.5, 3.0, 3.5, 3.5, 4.0 wt%). Mid-IR fluorescence intensities in the range of 1,300 nm-2,200 nm have been measured when excited under an 808 nm LD for all the samples with the same pump power. Energy level structure and Judd-Ofelt parameters have been calculated based on the absorption spectra of Tm(3+), cross-relaxation rates and multi-phonon relaxation rates have been estimated with different Tm(2)O(3) doping concentrations. The maximum fluorescence intensity at around 1.8 mum has been obtained in Tm(2)O(3)-3 wt% sample and the maximum value of calculated stimulated emission cross-section of Tm(3+) in this sample is about 0.48 x 10(-20) cm(2) at 1,793 nm, and there is not any crystallization peak in the DSC curve of this sample, which indicate the potential utility of Tm(3+)-doped BaF(2)-Ga(2)O(3)-GeO(2)- La(2)O(3) glass for 2.0-microm optical fiber laser.

Synthesis and Crystal and Electronic Structures of the Dinuclear Platinum Compounds [PEtPh(3)](2)[Pt(2)(&mgr;-PPh(2))(2)(C(6)F(5))(4)] and [Pt(2)(&mgr;-PPh(2))(2)(C(6)F(5))(4)]: A Computational Study by Density Functional Theory.

PubMed

Alonso, Ester; Casas, José M.; Cotton, F. Albert; Feng, Xuejung; Forniés, Juan; Fortuño, Consuelo; Tomas, Milagros

1999-11-01

The electrolytic behavior of the dinuclear complexes [NBu(4)](2)[MM'(&mgr;-PPh(2))(2)(C(6)F(5))(4)] (M = M' = Pt (1), Pd (1a); M = Pt, M' = Pd (1b)) has been studied, showing electrochemically irreversible oxidation and related reduction processes. The chemical oxidation of the binuclear compound for M = M' = Pt, results in the formation of the binuclear Pt(III) compound [Pt(2)(&mgr;-PPh(2))(2)(C(6)F(5))(4)]. The crystal structure analysis of both complexes has been carried out, showing very similar structures with similar Pt-C and Pt-P distances and analogous skeletons. However the Pt-Pt distances are very different, 3.621(1) Å for the Pt(II) compound and 2.7245(7) Å for the Pt(III) derivative (as are the parameters geometrically related to this Pt-Pt distance), suggesting that, in the Pt(III) compound, there is a strong Pt-Pt bond. Results of DFT calculations on [Pt(2)(&mgr;-PH(2))(2)(C(6)F(5))(4)](n)()(-) (n = 2, 0) agree very well with the crystallographic data and indicate that, in the Pt(III) compound, there is approximately a single sigma bond between the metal atoms.

Point defect disorder in high-temperature solution grown Sr6Tb0.94Fe1.06(BO3)6 single crystals

NASA Astrophysics Data System (ADS)

Velázquez, M.; Péchev, S.; Duttine, M.; Wattiaux, A.; Labrugère, C.; Veber, Ph.; Buffière, S.; Denux, D.

2018-08-01

New Sr6Tb0.94Fe1.06(BO3)6 single crystals were obtained from lithium borate high-temperature solution growth under controlled atmosphere. Their average crystal structure was found to adopt the trigonal R-3 space group with lattice parameters a = 12.2164 Å and c = 9.1934 Å. A combined multiscale characterization approach, involving diffuse reflectance, X-ray photoelectron (XPS) and Mössbauer spectroscopies, was undertaken to establish the exact nature of the point defect disorder in this crystal structure. The FeTb× antisite disorder in the Sr6Tb0.94Fe1.06(BO3)6 single crystals is different from the kind of point defect disorder known to exist in the powder phase material counterpart. The absence of Tb4+ cations in the crystal lattice was established by XPS, and that of any phase transition down to 4 K was checked by specific heat measurements. The magnetic susceptibility curve was found to follow a Curie-Weiss behaviour in the 4-354 K temperature range.

Spinel, YbFe2O4, and Yb2Fe3O7 types of structure for compounds in the In2O3 and Sc2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, Cu, or Zn) at temperatures over 1000C

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimizuka, N.; Mohri, T.

In the Sc2O3-Ga2O3-CuO, Sc2O3-Ga2O3-ZnO, and Sc2O3-Al2O3-CuO systems, ScGaCuO4, ScGaZnO4, and ScAlCuO4 with the YbFe2O4-type structure and Sc2Ga2CuO7 with the Yb2Fe3O7-type structure were obtained. In the In2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, or Zn), InGaFeO4, InGaNiO4, and InFeT MgO4 with the spinel structure, InGaZnO4, InGaMgO4, and InAl-CuO4 with the YbFe2O4-type structure, and In2Ga2MnO7 and In2Ga2ZnO7 with the Yb2Fe3O7-type structure were obtained. InGaMnO4 and InFe2O4 had both the YbFe2O4-type and spinel-type structures. The revised classification for the crystal structures of AB2O4 compounds is presented, based upon the coordination numbers of constituent A and B cations. 5more » references, 2 tables.« less

Characterization of the regulatory network of BoMYB2 in controlling anthocyanin biosynthesis in purple cauliflower.

PubMed

Chiu, Li-Wei; Li, Li

2012-10-01

Purple cauliflower (Brassica oleracea L. var. botrytis) Graffiti represents a unique mutant in conferring ectopic anthocyanin biosynthesis, which is caused by the tissue-specific activation of BoMYB2, an ortholog of Arabidopsis PAP2 or MYB113. To gain a better understanding of the regulatory network of anthocyanin biosynthesis, we investigated the interaction among cauliflower MYB-bHLH-WD40 network proteins and examined the interplay of BoMYB2 with various bHLH transcription factors in planta. Yeast two-hybrid studies revealed that cauliflower BoMYBs along with the other regulators formed the MYB-bHLH-WD40 complexes and BobHLH1 acted as a bridge between BoMYB and BoWD40-1 proteins. Different BoMYBs exhibited different binding activity to BobHLH1. Examination of the BoMYB2 transgenic lines in Arabidopsis bHLH mutant backgrounds demonstrated that TT8, EGL3, and GL3 were all involved in the BoMYB2-mediated anthocyanin biosynthesis. Expression of BoMYB2 in Arabidopsis caused up-regulation of AtTT8 and AtEGL3 as well as a subset of anthocyanin structural genes encoding flavonoid 3'-hydroxylase, dihydroflavonol 4-reductase, and leucoanthocyanidin dioxygenase. Taken together, our results show that MYB-bHLH-WD40 network transcription factors regulated the bHLH gene expression, which may represent a critical feature in the control of anthocyanin biosynthesis. BoMYB2 together with various BobHLHs specifically regulated the late anthocyanin biosynthetic pathway genes for anthocyanin biosynthesis. Our findings provide additional information for the complicated regulatory network of anthocyanin biosynthesis and the transcriptional regulation of transcription factors in vegetable crops.

Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F

PubMed Central

2015-01-01

Two lead fluorocarbonates, RbPbCO3F and CsPbCO3F, were synthesized and characterized. The materials were synthesized through solvothermal and conventional solid-state techniques. RbPbCO3F and CsPbCO3F were structurally characterized by single-crystal X-ray diffraction and exhibit three-dimensional (3D) crystal structures consisting of corner-shared PbO6F2 polyhedra. For RbPbCO3F, infrared and ultraviolet–visible spectroscopy and thermogravimetric and differential thermal analysis measurements were performed. RbPbCO3F is a new noncentrosymmetric material and crystallizes in the achiral and nonpolar space group P6̅m2 (crystal class 6̅m2). Powder second-harmonic generation (SHG) measurements on RbPbCO3F and CsPbCO3F using 1064 nm radiation revealed an SHG efficiency of approximately 250 and 300 × α-SiO2, respectively. Charge constants d33 of approximately 72 and 94 pm/V were obtained for RbPbCO3F and CsPbCO3F, respectively, through converse piezoelectric measurements. Electronic structure calculations indicate that the nonlinear optical response originates from the distorted PbO6F2 polyhedra, because of the even–odd parity mixing of the O 2p states with the nearly spherically symmetric 6s electrons of Pb2+. The degree of inversion symmetry breaking is quantified using a mode-polarization vector analysis and is correlated with cation size mismatch, from which it is possible to deduce the acentric properties of 3D alkali-metal fluorocarbonates. PMID:24867361

Crystal Structure and Antiferromagnetic Ordering of Quasi-2D [Cu(HF2)(pyz)2]TaF6 (pyz=pyrazine)

NASA Astrophysics Data System (ADS)

Manson, J. L.; Schlueter, J. A.; McDonald, R. D.; Singleton, J.

2010-04-01

The crystal structure of the title compound was determined by X-ray diffraction at 90 and 295 K. Copper(II) ions are coordinated to four bridging pyz ligands to form square layers in the ab-plane. Bridging HF2- ligands join the layers together along the c-axis to afford a tetragonal, three-dimensional (3D) framework that contains TaF6- anions in every cavity. At 295 K, the pyz rings lie exactly perpendicular to the layers and cooling to 90 K induces a canting of those rings. Magnetically, the compound exhibits 2D antiferromagnetic correlations within the 2D layers with an exchange interaction of -13.1(1) K. Weak interlayer interactions, as mediated by Cu-F-H-F-Cu, leads to long-range magnetic order below 4.2 K. Pulsed-field magnetization data at 0.5 K show a concave curvature with increasing B and reveal a saturation magnetization at 35.4 T.

Growth and electrical properties of (Mn,F) co-doped 0.92Pb(Zn 1/3Nb 2/3)O 3-0.08PbTiO 3 single crystal

NASA Astrophysics Data System (ADS)

Zhang, Shujun; Lebrun, Laurent; Randall, Clive A.; Shrout, Thomas R.

2004-06-01

The growth and characterization of (Mn,F) doped Pb(Zn 1/3Nb 2/3)O 3-PbTiO 3 (PZNT) single crystals are reported in this paper. The typical single crystal obtained is up to 30 mm size with dark brown color. The crystal lattice parameters of doped PZNT crystal are slightly decreased compared to the pure one. The room temperature dielectric permittivity along <0 0 1> direction is about 6000, which is lower than that of the pure PZNT8 because of the dopants. The Curie temperature of the doped crystal is about 180°C while the ferroelectric phase transition temperature is around 100°C, which are higher than those of the pure PZNT8 single crystal. The remnant polarization and coercive field of <0 0 1> oriented doped crystal measured at 1 Hz and 10 kV/cm field are about 27 μC/cm 2 and 4.2 kV/cm, respectively. The room temperature mechanical quality factor is ˜300. Piezoelectric coefficient of <0 0 1> oriented doped crystal is higher than 3500 pC/N and the longitudinal electromechanical coupling factor is larger than 93%. The piezoelectric properties of doped PZNT single crystal with temperature and orientations are also reported in this paper. The valence state of the manganese dopant was determined by electron spin resonance, indicating no Mn 4+ in the crystals, suggesting the valence of manganese ions in PZNT crystals may be 2+, which acts as a hardener, stabilizes the domain wall and pins the domain wall motion, on the other hand, the dopant will enter Ti 4+ position, shifting the crystal composition to higher PT content.

Charge Transfer Salts of BO with Paramagnetic Isothiocyanato Complex Anions: (BO)[ M(isoq) 2(NCS) 4]; M=Cr III or Fe III, isoq=isoquinoline and BO=Bis(ethylenedioxo)tetrathiafulvalene

NASA Astrophysics Data System (ADS)

Setifi, Fatima; Ota, Akira; Ouahab, Lahcéne; Golhen, Stèphane; Yamochi, Hideki; Saito, Gunzi

2002-11-01

The preparation, X-ray structures and magnetic properties of two isostructural new charge transfer salts: (BO)[ M(isoq) 2(NCS) 4]; M=Cr III(1), Fe III(2) and isoq=isoquinoline are reported. Their structure consists of alternate organic and inorganic layers, each layer being formed by mixed columns of BO radical cations and paramagnetic metal complex anions. There are short intermolecular contacts between donor and anion (S2 anion· · ·S4 BO<3.5 Å) and between adjacent BO molecules (O· · · O1<3.2 Å). The two compounds are insulators. ESR measurements show single signal without separating the donor and anion spins. The magnetic measurements obey the Curie-Weiss law and revealed dominant antiferromagnetic interactions between anion spin and donor spin, but long-range magnetic ordering did not occur down to 2 K. This is directly related to structural reasons which were deduced from a comparison of the title compounds with other 1:1 salts containing same anion complexes and different donors.

Fluorine sites in glasses and transparent glass-ceramics of the system Na{sub 2}O/K{sub 2}O/Al{sub 2}O{sub 3}/SiO{sub 2}/BaF{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bocker, Christian, E-mail: christian.bocker@uni-jena.d; Munoz, Francisco; Duran, Alicia

2011-02-15

The transparent glass-ceramics obtained in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} show homogeneously dispersed BaF{sub 2} nano crystals with a narrow size distribution. The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses and the respective glass-ceramics in order to clarify the crystallization mechanism and the role of fluorine during crystallization. With an increasing annealing time, the concentration and also the number of crystals remain approximately constant. With an increasing annealing temperature, the crystalline fraction increases until a saturation limit is reached, while the number of crystals decreases and the size of the crystals increases.more » Fluoride in the glassy network occurs as Al-F-Ba, Al-F-Na and also as Ba-F structures. The latter are transformed into crystalline BaF{sub 2} and fluoride is removed from the Al-F-Ba/Na bonds. However, some fluorine is still present in the glassy phase after the crystallization. -- Graphical abstract: The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} and the respective glass-ceramics with BaF{sub 2} nano crystals in order to clarify the crystallization mechanism and the role of fluorine during crystallization. Display Omitted Research highlights: {yields} BaF{sub 2} nano crystals are precipitated from a silicate glass system. {yields} Ostwald ripening during the late stage of crystallization does not occur. {yields} Fluorine in the glass is coordinated with Ba as well as Al together with Ba or Na.{yields} In the glass-ceramics, the residual fluorine is coordinated as Al-F-Ba/Na.« less

A novel single-phase white phosphor NaBaBO{sub 3}:Dy{sup 3+},K{sup +} for near-UV white light-emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Jianghui; Cheng, Qijin; Wu, Jieyang

Highlights: • A white phosphor NaBaBO{sub 3}:Dy{sup 3+},K{sup +} with CIE coordinate (0.301, 0.308) was synthesized. • The optimum doping concentration of Dy{sup 3+} ions was found. • The effect and mechanism of K{sup +} ion as a charge compensator were discussed. • Temperature-dependent PL property of NaBaBO{sub 3}:Dy{sup 3+},K{sup +} was studied. • PL decay and quantum efficiency behaviors of the samples were investigated. - Abstract: A novel Dy{sup 3+}-doped NaBaBO{sub 3} white-emitting phosphor has been prepared by high temperature solid-state reaction method. The phase structure and luminescence properties of NaBaBO{sub 3}:Dy{sup 3+},K{sup +} samples were investigated. Photoluminescence resultsmore » show that the as-prepared samples could be effectively excited by near-ultraviolet (NUV) light and generate white light emission due to the {sup 4}F{sub 9/2} → {sup 6}H{sub 15/2} (blue) transition and {sup 4}F{sub 9/2} → {sup 6}H{sub 13/2} (yellow) transition of Dy{sup 3+} ions, respectively. The optimum doping concentration of Dy{sup 3+} ions in the NaBaBO{sub 3} host was determined to be 5.0 mol% and the CIE chromaticity of the sample was determined to be (0.301, 0.308). Moreover, the mechanism of K{sup +} ion as a charge compensator on the improvement of photoluminescence property and the effect of temperature on the photoluminescence property of NaBaBO{sub 3}:Dy{sup 3+},K{sup +} were investigated. Furthermore, photoluminescence decay and quantum efficiency behaviors of NaBaBO{sub 3}:Dy{sup 3+},K{sup +} were also studied. The present work demonstrates that the NaBaBO{sub 3}:Dy{sup 3+},K{sup +} phosphor is a potential candidate for NUV white light emitting diodes.« less

Magnetic nanopantograph in the SrCu2(BO3)2 Shastry–Sutherland lattice

PubMed Central

Radtke, Guillaume; Saúl, Andrés; Dabkowska, Hanna A.; Salamon, Myron B.; Jaime, Marcelo

2015-01-01

Magnetic materials having competing, i.e., frustrated, interactions can display magnetism prolific in intricate structures, discrete jumps, plateaus, and exotic spin states with increasing applied magnetic fields. When the associated elastic energy cost is not too expensive, this high potential can be enhanced by the existence of an omnipresent magnetoelastic coupling. Here we report experimental and theoretical evidence of a nonnegligible magnetoelastic coupling in one of these fascinating materials, SrCu2(BO3)2 (SCBO). First, using pulsed-field transversal and longitudinal magnetostriction measurements we show that its physical dimensions, indeed, mimic closely its unusually rich field-induced magnetism. Second, using density functional-based calculations we find that the driving force behind the magnetoelastic coupling is the CuOCu^ superexchange angle that, due to the orthogonal Cu2+ dimers acting as pantographs, can shrink significantly (0.44%) with minute (0.01%) variations in the lattice parameters. With this original approach we also find a reduction of ∼10% in the intradimer exchange integral J, enough to make predictions for the highly magnetized states and the effects of applied pressure on SCBO. PMID:25646467

Thermodynamic study of gaseous CsBO2 by Knudsen effusion mass spectrometry

NASA Astrophysics Data System (ADS)

Nakajima, K.; Takai, T.; Furukawa, T.; Osaka, M.

2017-08-01

One of the main chemical forms of cesium in the gas phase during severe light-water reactor accidents is expected to be cesium metaborate, CsBO2, according to thermodynamic equilibrium calculations considering its reaction with boron. However, the accuracy of the thermodynamic data of the gaseous metaborate, CsBO2(g), has been judged as poor. Thus, Knudsen effusion mass spectrometric measurements of CsBO2 were carried out to obtain reliable thermodynamic data. The evaluated values of the standard enthalpy of formation of CsBO2(g), obtained by the 2nd and 3rd-law treatments, are -700.7 ± 10.7 kJ/mol and -697.0 ± 10.6 kJ/mol, respectively, and agree with each other within the experimental errors, which indicates that our data are reliable. Furthermore, it was found that the existing data of the Gibbs energy function and the standard enthalpy of formation agreed well with the values evaluated in this study, which indicates that the existing thermodynamic data are also reliable.

Optical properties of Ni2+ and radiation defects in MgF sub 2 and MnF sub 2

NASA Astrophysics Data System (ADS)

Feuerhelm, L. N.

1980-03-01

The radiation defects in pure MgF2 were made by observating the polarized absorption, luminescence, and excitation spectra in electron-irradiated MgF2. Additionally, studies of the absorption, emission, excitation, and temperature dependence of the lifetimes of transitions in nickel-doped MgF2 and MnF2 were accomplished, as well as the observation of radiation effects on these crystals. The absorption band at about 320 nm in irradiated MgF2 is identified to be due to the F2(D2b) center, and to have an emission at about 450 nm. Analysis of the temperature dependence of this band indicates a dominant phonon mode of 255 cm(-1) for the excited state. The F2(C1) center is identified with an absorption of about 360 nm and an emission of 410 nm. An absorption peak at 300 nm, for which no corresponding emission was found, is tentatively identified to be the F3-center, and to have a dominant phonon mode of 255 cm(-1). The temperature dependence of the lifetimes of transitions in nickel-doped MgF2 is analyzed by the quantum mechanical single configuration coordinate model of Struck and Fonger, and a complete configuration coordinate model is made for this crystal. Similar studies are made in MnF2:Ni.

Er3+-doped BaY2F8 crystal waveguides for broadband optical amplification at 1.5 μm

NASA Astrophysics Data System (ADS)

Toccafondo, V.; Cerqueira S., A.; Faralli, S.; Sani, E.; Toncelli, A.; Tonelli, M.; Di Pasquale, F.

2007-01-01

Integrated waveguide amplifiers based on high concentration Er3+ doped BaY2F8 crystals are numerically studied by combining a full-vectorial finite element based modal analysis and propagation-rate equations. Using realistic input data, such as the absorption/emission cross sections and Er level lifetimes measured on grown crystal samples, we investigate the amplifier performance by optimizing the total Er concentration. We predict optimum gain coefficient up to 5dB/cm and broad amplification bandwidth exceeding 80nm with 1480nm pumping.

Scintillation properties of a 2-inch diameter KCa0.8Sr0.2I3:Eu2+ single crystal

NASA Astrophysics Data System (ADS)

Wu, Yuntao; Lindsey, Adam C.; Loyd, Matthew; Stand, Luis; Zhuravleva, Mariya; Koschan, Merry; Melcher, Charles L.

2017-09-01

Inch-sized scintillating crystals are required for practical radiation detectors such as hand-held radio-isotope identification devices. In this work, a transparent and colorless 2-inch diameter KCa0.8Sr0.2I3: 0 . 5 mo% Eu2+ single crystal was grown by the vertical Bridgman method, and the scintillation properties of a ∅ 50 mm × 45 mm long sample were evaluated. The Eu2+ 5d1- 4 f emission under X-ray excitation is centered at 472 nm. Its scintillation decay time under 137 Cs source irradiation is 2 . 37 μs, and the absolute light output is 51,000 ± 3000 photons/MeV. The energy resolution at 662 keV was evaluated for different orientations of the crystals with respect to the PMT, and the effect of 40 K background subtraction on energy resolution was evaluated. The performance of the packaged crystal was also investigated.

Optical spectroscopy of BaY2F8:Dy3+

NASA Astrophysics Data System (ADS)

Parisi, Daniela; Toncelli, Alessandra; Tonelli, Mauro; Cavalli, Enrico; Bovero, Enrico; Belletti, Alessandro

2005-05-01

The optical spectra of the BaY2F8:Dy3+ laser crystal have been investigated in the 5000-30 000 cm-1 range. The Judd-Ofelt parametrization scheme has been applied to the analysis of the room temperature absorption spectra. The calculated radiative lifetime of the 4F9/2 state is 1.48 ms. Decay curves of the visible emission have been measured as a function of the temperature for two different Dy3+ concentrations (0.5 and 4.4%). In the case of the diluted crystal the emission profiles are single exponential with decay times consistent with the radiative lifetime. The decay curves of the concentrated crystal are not exponential and they obey the Inokuti-Hirayama model for energy transfer for an electric dipole-dipole interaction in the absence of diffusion among the donors. The emission cross section at 575 nm has been estimated using the integral β-τ method in order to assess the potentialities of this compound as a solid state laser material in the yellow region.

Hydrothermal Syntheses and Structures of Three-Dimensional Oxo-fluorovanadium Phosphates: [H 2N(C 2H 4) 2NH 2] 0.5[(VO) 4V(HPO 4) 2(PO 4) 2F 2(H 2O) 4] · 2H 2O and K 2[(VO) 3(PO 4) 2F 2(H 2O)] · H 2O

NASA Astrophysics Data System (ADS)