Structure transformations during phase transitions in the K3WO3F3 oxyfluoride

The structures of three phases of the K₃WO₃F₃ crystal have been determined from X-ray diffraction data obtained for a powder sample. The profile and structural parameters have been refined according to the technique implemented in the DDM program. The results obtained have been discussed using the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic displacements and allows the interpretation of the experimental data. The sequence of structural transformations is found to be as follows: $ Fm\bar 3m\xrightarrow[{(\eta _1 ,0,0)}]{{11 - 10(\Gamma _4^ - )}}I4mm\xrightarrow[{(\eta _1 ,\eta _2 ,0)}]{{11 - 10(\Gamma _4^ - )}}Cm $ Fm\bar 3m\xrightarrow[{(\eta _1 ,0,0)}]{{11 - 10(\Gamma _4^ - )}}I4mm\xrightarrow[{(\eta _1 ,\eta _2 ,0)}]{{11 - 10(\Gamma _4^ - )}}Cm .     

Structures of distorted phases and critical and noncritical atomic displacements of elpasolite Rb<Subscript>2</Subscript>KInF<Subscript>6</Subscript> during phase transitions

The structures of all three phases of the Rb₂KInF₆ crystal have been determined from the experimental X-ray diffraction data for the powder sample. The refinement of the profile and structural parameters has been carried out by the technique implemented in the DDM program, which minimizes the differences between the derivatives of the calculated and measured X-ray intensities over the entire profile of the X-ray diffraction pattern. The results obtained have been discussed using the group-theoretical analysis of the complete order-parameter condensate, which takes into account the critical and noncritical atomic displacements and permits the interpretation of the experimental data obtained previously. It has been reliably established that the sequence of changes in the symmetry during phase transitions in Rb₂KInF₆ can be represented as $ Fm\bar 3m\xrightarrow[{0,0,\phi }]{{11 - 9\left( {\Gamma _4^ + } \right)}}{{I114} \mathord{\left/ {\vphantom {{I114} {m\xrightarrow[{\left( {\psi ,\phi ,\phi } \right)}]{{11 - 9\left( {\Gamma _4^ + } \right) \oplus 10 - 3\left( {X_3^ + } \right)}}{{P12_1 } \mathord{\left/ {\vphantom {{P12_1 } {n1}}} \right. \kern-\nulldelimiterspace} {n1}}}}} \right. \kern-\nulldelimiterspace} {m\xrightarrow[{\left( {\psi ,\phi ,\phi } \right)}]{{11 - 9\left( {\Gamma _4^ + } \right) \oplus 10 - 3\left( {X_3^ + } \right)}}{{P12_1 } \mathord{\left/ {\vphantom {{P12_1 } {n1}}} \right. \kern-\nulldelimiterspace} {n1}}}} $ Fm\bar 3m\xrightarrow[{0,0,\phi }]{{11 - 9\left( {\Gamma _4^ + } \right)}}{{I114} \mathord{\left/ {\vphantom {{I114} {m\xrightarrow[{\left( {\psi ,\phi ,\phi } \right)}]{{11 - 9\left( {\Gamma _4^ + } \right) \oplus 10 - 3\left( {X_3^ + } \right)}}{{P12_1 } \mathord{\left/ {\vphantom {{P12_1 } {n1}}} \right. \kern-\nulldelimiterspace} {n1}}}}} \right. \kern-\nulldelimiterspace} {m\xrightarrow[{\left( {\psi ,\phi ,\phi } \right)}]{{11 - 9\left( {\Gamma _4^ + } \right) \oplus 10 - 3\left( {X_3^ + } \right)}}{{P12_1 } \mathord{\left/ {\vphantom {{P12_1 } {n1}}} \right. \kern-\nulldelimiterspace} {n1}}}} .     

Structural transformations and the critical and noncritical parameters during the phase transition in the (NH4)2KWO3F3 oxyfluoride

The structures of two phases of the (NH₄)₂KWO₃F₃ crystal have been determined from X-ray diffraction data obtained for a powder sample. The profile and structural parameters have been refined according to the procedure implemented in the DDM program. The results obtained have been discussed with invoking the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic orderings and allows one to interpret the experimental data. It has been found that the symmetry transformation in the crystal can be schematically represented in the form Fm[`3]m\xrightarrow[(h,0,0,0,0,0)]10 - 10(X₅^- )PmmnFm\bar 3m\xrightarrow[{(\eta ,0,0,0,0,0)}]{{10 - 10(X_5^ - )}}Pmmn. This transformation is accompanied by the ordering of WO₃F₃ polyhedra and the displacement of NH₄ and K ions.     

Upconversion blue emission dependence on the pump mechanism for Tm<Superscript>3+</Superscript>-heavy-doped NaY(WO<Subscript>4</Subscript>)<Subscript>2</Subscript> crystal

Upconversion blue emissions of Tm³⁺-ion-heavy-doped NaY(WO₄)₂ crystals are investigated with three different near-infrared pump mechanisms. The dependence of upconversion efficiency on the pump mechanism is analyzed from the scope of the concentration quenching effect. Three cross-relaxation processes, , , and , which influence the upconversion dominantly in the Tm³⁺-heavy-doped system, are demonstrated theoretically and experimentally. The results indicate that Yb³⁺ ions can weaken the concentration quenching effect of Tm³⁺ ions significantly so that the blue emission efficiency can be enhanced by one order of magnitude. At the same time, the wavelength of the pump source also has considerable influence on both the population of some crucial energy levels and the upconversion mechanism. Experiments show that the upconversion blue emission in Tm³⁺/Yb³⁺ co-doped NaY(WO₄)₂ crystal under 980-nm laser diode excitation is the most intensive of these three different near-infrared pump mechanisms. The conclusions are confirmed by spectra measurements and calculations of Judd–Ofelt theory and Miyakawa–Dexter theory. PACS 42.70.Hj; 78.55.-m     

Comparison of Uhlmann's transition probability with the one induced by the natural positive cone of von Neumann algebras in standard form

It is shown that for normal states ρ and φ of a W ^*-algebra , where P(.,.) is the transition probability considered by Uhlmann [1], and ζ(ω) is the vector in the natural positive cone of some standard faithful representation of A, associated with the normal state ω. The above inequality is equivalent to: , where d(.,.) is the Bures distance function [5].     

Hyperfine quenching of the 4s4p <Superscript>3</Superscript>P<Subscript>0</Subscript> level in Zn-like ions

In this paper, we used the multiconfiguration Dirac-Fock method to compute with high precision the influence of the hyperfine interaction on the [Ar] P₀ level lifetime in Zn-like ions for stable and some quasi-stable isotopes of nonzero nuclear spin between Z=30 and Z=92. The influence of this interaction on the [Ar] P P₀ separation energy is also calculated for the same ions.     

The strong decays of <Emphasis Type="Italic">X</Emphasis>(3940) and <Emphasis Type="Italic">X</Emphasis>(4160)

The new mesons X(3940) and X(4160) have been found by Belle Collaboration in the processes \(e^+e^-\rightarrow J/\psi D^{(*)}{\bar{D}}^{(*)}\). Considering X(3940) and X(4160) as \(\eta _c(3S)\) and \(\eta _c(4S)\) states, the two-body open charm OZI-allowed strong decay of \(\eta _c(3S)\) and \(\eta _c(4S)\) are studied by the improved Bethe–Salpeter method combined with the \(^3P_0\) model. The strong decay width of \(\eta _c(3S)\) is \(\Gamma _{\eta _c(3S)}=(33.5^{+18.4}_{-15.3})\) MeV, which is close to the result of X(3940); therefore, \(\eta _c(3S)\) is a good candidate of X(3940). The strong decay width of \(\eta _c(4S)\) is \(\Gamma _{\eta _c(4S)}=(69.9^{+22.4}_{-21.1})\) MeV, considering the errors of the results, it is close to the lower limit of X(4160). But the ratio of the decay width \(\frac{\Gamma (D{\bar{D}}^*)}{\Gamma (D^*{\bar{D}}^*)}\) of \(\eta _c(4S)\) is larger than the experimental data of X(4160). According to the above analysis, \(\eta _c(4S)\) is not the candidate of X(4160), and more investigations of X(4160) is needed.     

The electrochemical reactivity of the NiP<Subscript>3</Subscript> skutterudite-type phase with lithium

We report the electrochemical Li reactivity of the cubic NiP₃ phase, a candidate for anode applications for Li-ion batteries. NiP₃ reacts with nine lithium per formula unit leading to a first cycle reversible capacity of 1,475 mAh/g at an average potential of 0.9 V vs. Li+/Li°. Electrochemical measurements and complementary X-ray diffraction showed that NiP₃ presents a conversion process competing with an insertion process. A good cycleability may only be obtained on a limited potential window, excluding the low-potential region. This paper was presented at the 11th EuroConference on the Science and Technology of Ionics, Batz-sur-Mer, Sept. 9–15, 2007.     

Gleichzeitige Messung von Hyperfeinstruktur,Starkeffekt und Zeemaneffekt des23Na19F mit einer Molekülstrahl-Resonanzapparatur

An electric molecular beam resonance spectrometer has been used to measure simultaneously the Zeeman- and Stark-effect splitting of the hyperfine structure of²³Na¹⁹F. Electric four pole lenses served as focusing and refocusing fields of the spectrometer. A homogenous magnetic field (Zeeman field) was superimposed to the electric field (Stark field) in the transition region of the apparatus. The observed (Δm _J=±1)-transitions were induced electrically. Completely resolved spectra of NaF in theJ=1 rotational state have been measured in several vibrational states. The obtained quantities are: The electric dipolmomentμ _el of the molecule forv=0, 1 and 2, the rotational magnetic dipolmomentμ _J forv=0, 1, the difference of the magnetic shielding (σ _⊥-σ _‖) by the electrons of both nuclei as well as the difference of the molecular susceptibility (ξ _⊥-ξ _‖), the spin rotational constantsc _F andc _Na, the scalar and the tensor part of the molecular spin-spin interaction, the quadrupol interactione q Q forv=0, 1 and 2. The numerical values are

$$\begin{gathered} \mu _{\mathfrak{e}1} = 8,152(6) deb \hfill \\ \frac{{\mu _{\mathfrak{e}1} (v = 1)}}{{\mu _{\mathfrak{e}1} (v = 0)}} = 1,007985 (7) \hfill \\ \frac{{\mu _{\mathfrak{e}1} (v = 2)}}{{\mu _{\mathfrak{e}1} (v = 1)}} = 1,00798 (5) \hfill \\ \mu _J = - 2,89(3)10^{ - 6} \mu _B \hfill \\ \frac{{\mu _J (v = 0)}}{{\mu _J (v = 1)}} = 1,020 (13) \hfill \\ (\sigma _ \bot - \sigma _\parallel )_{Na} = - 51(12) \cdot 10^{ - 5} \hfill \\ (\sigma _ \bot - \sigma _\parallel )_F = - 51(12) \cdot 10^{ - 6} \hfill \\ (\xi _ \bot - \xi _\parallel ) = - 1,59(120)10^{ - 30} erg/Gau\beta ^2 \hfill \\ {}^CNa/^h = 1,7 (2)kHz \hfill \\ {}^CF/^h = 2,2 (2)kHz \hfill \\ {}^dT/^h = 3,7 (2)kHz \hfill \\ {}^dS/^h = 0,2 (2)kHz \hfill \\ eq Q/h = - 8,4393 (19)MHz \hfill \\ \frac{{eq Q(v = 0)}}{{eq Q(v = 1)}} = 1,0134 (2) \hfill \\ \frac{{eq Q(v = 1)}}{{eq Q(v = 2)}} = 1,0135 (2) \hfill \\ \end{gathered} $$     

Determination of traces of elements in solutions by the method of flame atomic-ionization spectroscopy

Multistage effective excitation circuits for a sodium atom in a propane-butane-air flame are studied experimentally. Consideration is given to the effectiveness of the excitation and ionization of an Au atom following the collision scheme

<Emphasis Type="Italic">C</Emphasis><Subscript>2</Subscript>-Cofiniteness of the 2-Cycle Permutation Orbifold Models of Minimal Virasoro Vertex Operator Algebras

In this article, we give a sufficient and necessary condition for the C ₂-cofiniteness of \({\widetilde{V} = (V\otimes V)^\sigma}\) for a C ₂-cofinite vertex operator algebra V and the 2-cycle permutation σ of \({V\otimes V}\) . As an application, we show that the 2-cycle permutation orbifold model of the simple Virasoro vertex operator algebra L(c, 0) of minimal central charge c is C ₂-cofinite.     

Leptonic decays of the <Emphasis Type="Italic">W</Emphasis> boson in a strong electromagnetic field

The probability of W-boson decay into a lepton and a neutrino, \(W^ \pm \to \ell ^ \pm \bar \nu _\ell \), in a strong electromagnetic field is calculated. On the basis of the method for deriving exact solutions to relativistic wave equations for charged particles, an exact analytic expression is obtained for the partial decay width \(\Gamma () = \Gamma (W^ + \to \ell ^ + \bar \upsilon _\ell )\) at an arbitrary value of the external-field-strength parameter \( = eM_W^{ - 3} \sqrt { - (F_{\mu \upsilon } q^\upsilon )^2 } \). It is found that, in the region of comparatively weak fields (??1), field-induced corrections to the standard decay width of theW boson in a vacuum are about a few percent. As the external-field-strength parameter is increased, the partial width with respect to W-boson decay through the channel in question, Γ(?), first decreases, the absolute minimum of Γ_min=0.926Γ(0) being reached at ?=0.6116. A further increase in the external-field strength leads to a monotonic growth of the decay width of the W boson. In superstrong fields (??1), the partial width with respect to W boson decay is greater than the corresponding partial width \(\Gamma ^{(0)} (W^ \pm \to \ell ^ \pm \bar \upsilon _\ell )\) in a vacuum by a factor of a few tens.     

An inequality for Hilbert-Schmidt norm

For the absolute value |C|=(C*C)^1/2 and the Hilbert-Schmidt norm ∥C∥_HS=(trC*C)^1/2 of an operatorC, the following inequality is proved for any bounded linear operatorsA andB on a Hilbert space $$|| |A|---|B| ||_{HS} \leqq 2^{1/2} ||A - B||_{HS} $$ . The corresponding inequality for two normal state ? and ψ of a von Neumann algebraM is also proved in the following form: $$d(\varphi ,\psi ) \leqq ||\xi (\varphi ) - \xi (\psi )|| \leqq 2^{1/2} d(\varphi ,\psi )$$ . Here ξ(χ) denotes the unique vector representative of a state χ in a natural positive coneP ^? forM, andd(?, ψ) denotes the Bures distance defined as the infimum (which is also the minimum) of the distance of vector representatives of ? and ψ. In particular, $$||\xi (\varphi _1 ) - \xi (\varphi _2 )|| \leqq 2^{1/2} ||\xi _1 - \xi _2 ||$$ for any vector representatives ξ _j of ? _j ,j=1, 2.     

Decay Behaviors of the <Emphasis Type="Italic">P</Emphasis><Subscript><Emphasis Type="Italic">c</Emphasis></Subscript> Hadronic Molecules

In this proceeding, we present our recent work on decay behaviors of the P_c hadronic molecules, which can help to disentangle the nature of the two P_c pentaquark-like structures. The results turn out that the relative ratio of the decays of P _c ⁺ (4380) to \({\bar D *}{\Lambda _c}\) and J/ψp is very different for P_c being a \({\bar D *}{\Sigma _c}\) or \(\bar D\Sigma _c *\) bound state with \({J^P} = \frac{{{3 - }}}{2}\) And from the total decay width, we find that P_c(4380) being a \(\bar D\Sigma _c *\) molecule state with \({J^P} = \frac{{{3 - }}}{2}\) and P_c(4450) being a \({\bar D *}{\Sigma _c}\) molecule state with \({J^P} = \frac{{{5 + }}}{2}\) is more favorable to the experimental data.     

Anisotropy of the upper critical field in MgB<Subscript>2</Subscript>: The two-band Ginzburg-Landau theory

The temperature dependence of the anisotropy parameter of the upper critical field \(\gamma _{H_{c2} } (T) = H_{c2}^\parallel (T)/H_{c2}^ \bot (T)\) is calculated using the two-band Ginzburg-Landau theory for layered superconductors. It is shown that the anisotropy parameter γ(T) increases with decreasing temperature. The results of the calculations are in agreement with experimental data for single crystals of MgB₂ and with other calculations.     

Substitution effects on the bulk and surface properties of (Li,Ni)Mn<Subscript>2</Subscript>O<Subscript>4</Subscript>

Manganese oxides of spinel structure, LiMn₂O₄, Li_1-x Ni _x Mn₂O₄ (0.25 ≤ x≤ 0.75), and NiMn₂O₄, were studied by EDS, XRD, SEM, magnetic (M-H, M-T), and XPS measurements. The samples were synthesized by an ultrasound-assisted sol-gel method. EDS analysis showed good agreement with the formulations of the oxides. XRD and Rietveld refinement of X-ray data indicate that all samples crystallize in the Fd3m space group characteristic of the cubic spinel structure. The a-cell parameter ranges from a = 8.2276 Å (x = 0) to a = 8.3980 Å (x = 1). SEM results showed particle agglomerates ranging in size from 2.3 μm (x = 0) down to 0.8 μm (x = 1). Hysteresis magnetization vs. applied field curves in the 5–300K range was recorded. ZFC-FC measurements indicate the presence of two magnetic paramagnetic-ferrimagnetic transitions. The experimental Curie constant was found to vary from 5 to 7.1 cm³ K mol^?1 for the range of compositions studied (0 ≤ x ≤ 1). XPS studies of these oxides revealed the presence of Ni²⁺, Mn³⁺, and Mn⁴⁺. The experimental Ni/Mn atomic ratios obtained by XPS were in good agreement with the nominal values. A linear relationship of the average oxidation state of Mn with Ni content was observed. The oxide’s cation distributions as a function of Ni content from x = 0 ?Li⁺[Mn³⁺Mn⁴⁺]O₄ to x = 1 \( {\mathrm{Ni}}_{0.35}^{2+}{\mathrm{Mn}}_{0.65}^{3+}\left[{\mathrm{Ni}}_{0.65}^{2+}\right.\left.{\mathrm{Mn}}_{1.35}^{3+}\right]{\mathrm{O}}_4 \) were proposed.     

Observation of an intermediate phase in the K<Subscript>3</Subscript>Na(CrO<Subscript>4</Subscript>)<Subscript>2</Subscript> ferroelastic by Raman scattering

This paper reports on the first study in K₃Na(CrO₄)₂ crystals of Raman spectra within a broad temperature interval of 4–300 K. The study has revealed significant variations in the intensity and shape of the Raman lines at T = 150 K; a group theory analysis has revealed that the structural phase transition in this ferroelastic proceeds in two stages through an intermediate phase: \(P\bar 3m1 \to C2/m \to C2/c\).     

Electrical properties of polycrystalline TiO<Subscript>2</Subscript>: Equilibration kinetics

The equilibration kinetics was determined for high purity polycrystalline TiO₂ in the temperature range of 1,123–1,323 K, within a wide range of oxygen activity, . The equilibration kinetics experiments were performed within narrow p(O₂) ranges. The obtained kinetic data were used for the determination of the chemical diffusion coefficient, D _chem, which exhibits a complex dependence of p(O₂). The D _chem data are considered in terms of the effect of defect disorder on the mass transport kinetics in the chemical potential gradient. The reported diffusion data may be used for prediction of optimized processing conditions required to impose a homogeneous distribution of oxygen activity within the TiO₂ specimen. This project was performed as part of University of New South Wales R&D program on solar hydrogen.     

Generalized parton distributions in impact parameter space

The kinematical factor in the positivity bound (36) is incorrect. The bound correctly reads Our corrected result agrees with inequality (25) in [1], taking into account the different normalization conventions here and there.Published online: 9 October 2003Erratum published online: 10 October 2003     

Inclusive measure of |<Emphasis Type="Italic">V</Emphasis><Subscript><Emphasis Type="Italic">ub</Emphasis></Subscript>| with the analytic coupling model

By analyzing B→X _u ℓ ν _ℓ spectra with a model based on soft-gluon resummation and an analytic time-like QCD coupling, we obtain