Effect of charge compensation on emission spectrum of Ca2SiO4：Dy^3＋ phosphor

The Ca2SiO4：Dy^3＋ phosphor was synthesized by the high temperature solid-state reaction method in air. The emission spectrum of Ca2SiO4：Dy^3＋ phosphor shows several bands at 486, 575, and 665 nm under the 365-nm excitation. The effects of Li^＋, Na^＋, and K^＋ on the emission spectrum of Ca2SiO4：Dy^3＋ phosphor were studied. The results show that the emission spectrum intensity is greatly influenced by Li^＋, Na^＋, and K^＋. The charge compensation concentration corresponding to the maximum emission intensity is different with different charge compensations.     

Preparation and Luminescence Characteristics of Ca3Y2（BO3）4：Eu^3＋ Phosphor

Ca3Y2 （BO3）4：Eu^3＋ phosphor is synthesized by high temperature solid-state reaction method, and the Iuminescence characteristics are investigated. The emission spectrum exhibits two strong red emissions at 613 and 621 nm corresponding to the electric dipole ^5 Do- ^7F2 transition of Eu^3＋ under 365 nm excitation, the reason is that Eu^3＋ substituting for Y^3＋ occupies the non-centrosymmetric position in the crystal structure of Ca3 Y2 （BO3）4. The excitation spectrum for 613 nm indicates that the phosphor can be effectively excited by ultraviolet （UV） （254 nm, 365nm and 400nm） and blue （470nm） light. The effect of Eu^3＋ concentration on the emission intensity of Ca3 Y2 （BO3）4 ：Eu^3＋ phosphor is measured, the result shows that the emission intensities increase with increasing Eu^3＋ concentration, then decrease. The CIE colour coordinates of Ca3Y2 （BO3）4：Eu^3＋ phosphor is （0.639, 0.357） at 15mol% Eu^3＋.     

Sr3Bi（PO4）3：Eu^2＋ Luminescence,Concentration Quenching and Crystallographic Sites

A blue emitting phosphor Sr3Bi（PO4）3：Eu2＋ is synthesized luminescent property is investigated. Sr3Bi（PO4 ）3 ：Eu^2＋ can by a high-temperature solid state method, and its create blue emission under the 332 radiation excitation, and the prominent luminescence in blue （423nm） due to the 4fSd^1→4f^7 transition of the Eu^2＋ ion. The crystallographic sites of the Eu^2＋ ion in Sr3Bi（PO4）3 are analyzed, and the 420 and 440 nm emission peaks of the Eu^2＋ ion are assigned to the nine-coordination and eight-coordination, respectively. The emission intensity of Sr3Bi（PO4）3：Eu^2＋ is influenced by the Eu^2＋ doping content, and the concentration quenching effect is observed. The quenching mechanism is the dipole-dipole interaction, and the critical distance of energy transfer is calculated by the concentration quenching method to be approximately 1.72nm.     

Effect of charge compensation on emission spectrum of Ca2SiO4:Dy3+ phosphor

The Ca2SiO4:Dy3+ phosphor was synthesized by the high temperature solid-state reaction method in air.The emission spectrum of Ca2SiO4:Dy3+ phosphor shows several bands at 486, 575, and 665 nm under the 365-nm excitation. The effects of Li+, Na+, and K+ on the emission spectrum of Ca2SiO4:Dy3a+ phosphor were studied. The results show that the emission spectrum intensity is greatly influenced by Li+, Na+,and K+. The charge compensation concentration corresponding to the maximum emission intensity is different with different charge compensations.     

Hydrothermal Synthesis and Vacuum Ultraviolet-Excited Luminescence Properties of Novel Dy^3＋-doped GdPO4 White Light Phosphors

Novel Dy^3＋-doped GdPO4 white light phosphors with a monoclinic system are successfully synthesized by the hydrothermal method at 240℃. The strong absorption at around 147nm in the excitation spectrum is assigned to the host absorption. It is suggested that the vacuum ultraviolet excited energy is transferred from the host to the Dy^3＋ ions. The f - d transition of the Dy^3＋ ion is observed to be located at 182nm, which is consistent with the calculated value using Dorenbos＇s expression. Under 147nm excitation, Gd0.92PO4：0.08Dy^3＋ phosphor exhibits two emission bands located at 572 nm （yellow） and 478 nm （blue）, which correspond to the hypersensitive transitions ^4 F9/2-^6 H13/2 and ^4 F9/2-^6 H15/2. The two emission bands lead to the white light. Because of the strong absorption at about 147nm, Gd0.92PO4：0.08Dy^3＋ under vacuum ultraviolet excitation is an effective white light phosphor, and has promising applications to mercury-free lamps.     

A red oxide phosphor,SreScAlO5：Eu^2＋ with perovskite-type structure,for white light-emitting diodes

Sr2ScAlO5：Eu^2＋, a red oxide phosphor with a perovskite-type structure, has been synthesized through a solid-state reaction and its luminescence properties have been investigated. An absorption band centering at 450 nm is observed from the diffuse reflection spectra and the excitation spectra, indicating that the phosphor can match perfectly with the blue light of InGaN light-emitting diodes. A broad red emission band at 620 nm is found from the emission spectra, originating from the 4f^65d-4f^7 transition of the Eu^2＋ ions. The best doping content of Eu in this material is about 5%. S Sr2ScAlO5：Eu^2＋ is a highly promising red phosphor for use in white light-emitting diodes.     

Luminescence and Energy Transfer of Eu^2＋, Mn^2＋ in SrZnP2O7

The SrZnP2OT：Eu^2＋, Mn^2＋ phosphor is synthesized by high temperature solid state reaction. The luminescence properties and the energy transfer between Eu^2＋ and Mn^2＋ are investigated. The emission bands of this phosphor peaked at 42Ohm and 67Ohm are originated from the 5d → 4f transition of Eu^2＋ and from the 4T1 （4G） --〉 6A1 （6S） transit/on of Mn^2＋, respectively. With the increasing Mn^2＋ concentration, the intensity of fixed concentra- tion Eu^2＋ decreases and the intensity of Mn^2＋ also increases. It is suggested that there is an energy transfer from Eu^2＋ to Mn^2＋ in SrZnP2O7 host. According to Dexter＇s energy transfer formula of multipolar interaction, the energy transfer between Eu^2＋ and Mn^2＋ is due to the electric dipole-quadrupole interaction of the resonance transfer.     

Blue-to-Orange Tunable Luminescence from Europium Doped Yttrium--Silicon--Oxide--Nitride Phosphors

Europium-doped yttrium-silicon-oxide-nitride phosphors are synthesized by carbothermal reduction and nitridation method. The crystal structure of the phosphors changed gradually from oxide Y2Si2O7 to nitride YSi3N5 state with increasing dosage of Si3N4 and carbon powder. The Y2Si2O7：Eu phosphor shows a blue emission at 465 nm with 300 nm excitation and a characteristic red emission of Eu^3＋ at 612 nm with 230 nm excitation. The YSi3N5：EU phosphor shows a broad emission band centred at 595nm with some sharp peaks of Eu^3＋ with 325nm excitation. The absorption of the studied phosphors increases from 450 to 700hm with an increment in nitrogen content. Blue-to-orange tunable luminescence is observed with 390 nm excitation.     

The concentration quenching and crystallographic sites of Eu2+ in Ca2BO3Cl

A yellow phosphor, Ca2BO3CI：Eu2＋, is prepared by the high-temperature solid-state method. Under the condition of excitation sources ranging from ultraviolet to visible light, efficient yellow emission can be observed. The emission spectrum shows an asymmetrical single intensive band centred at 573 nm, which corresponds to the 4f65dl→4f7 transition of Eu2＋. Eu2＋ ions occupy two types of Ca2＋ sites in the Ca2BO3C1 lattice and form two corresponding emission centres, respectively, which lead to the asymmetrical emission of Eu2＋ in Ca2BO3C1. The emission intensity of Eu2＋ in Ca2BO3C1 is influenced by the Eu2＋ doping concentration. Concentration quenching is discovered, and its mechanism is verified to be a dipole-dipole interaction. The value of the critical transfer distance is calculated to be 2.166 nm, which is in good agreement with the 2.120 nm value derived from the experimental data.     

Luminescent Characteristics of LiSrBO3：Eu3＋ Phosphor for White Light Emitting Diode

LiSrBO3 ：Eu3＋ phosphor is synthesized by a high solid-state reaction method, and its luminescent characteristics are investigated. The emission and excitation spectra of LiSrBO3：Eu3＋ phosphors exhibit that the phosphors can be effectively excited by near ultraviolet （401 nm） and blue （471 nm） light, and emit 615nm red light. The effect of Eua＋ concentration on the emission spectrum of LiSrBO3：Eu3＋ phosphor is studied; the results show that the emission intensity increases with increasing Eu3＋ concentration, and then decreases because of concentration quenching. It reaches the maximum at 3mol%, and the concentration self-quenching mechanism is the dipoledipole interaction according to the Dexter theory. Under the conditions of charge compensation Li＋, Na＋ or K＋ incorporated in LiSrBO3, the luminescent intensities of LiSrBO3 ：Eua＋ phosphor are enhanced.     

Judd--Ofelt analysis of spectra and experimental evaluation of laser performance of Tm3+ doped Lu2SiO5 crystal

This paper reports that the Tm^3＋：Lu2SiO5 （Tm：LSO） crystal is grown by Czochralski technique. The roomtemperature absorption spectra of Tm：LSO crystal are measured on a b-cut sample with 4 at.% thulium. According to the obtained Judd-Ofelt intensity parameters Ω2=9.3155×10^-20 cm^2, Ω4=8.4103×10^-20 cm^2, Ω6=1.5908×10^-20 cm^2, the fluorescence lifetime is calculated to be 2.03 ms for ^3F4 → ^3H6 transition, and the integrated emission cross section is 5.81×10^-18 cm^2. Room-temperature laser action near 2μm under diode pumping is experimentally evaluated in Tm：LSO. An optical-optical conversion efficiency of 9.1% and a slope efficiency of 16.2% are obtained with continuouswave maximum output power of 0.67 W. The emission wavelengths of Tm：LSO laser are centred around 2.06μm with spectral bandwidth of -13.6 nm.     

Synthesis and characterization of Ca2Sn1-xCexO4 with blue luminescence originating from Ce^4＋ charge transfer transition

Ce^4＋-doped Ca2SnO4 with a one-dimensional structure, which emits bright blue light, is prepared by using a solid-state reaction method. The x-ray diffraction results show that the Ce^4＋ ions doped in Ca2SnO4 occupy the Sn^4＋ sites. The excitation and emission spectra of Ca2Sn1-xCexO4 appear to have broad bands with peaks at - 268nm and -442nm, respectively. A long excited-state lifetime （-83μs） for the emission from Ca2Sn1-xCexO4 suggests that the luminescence originates from a ligand-to-metal Ce^4＋ charge transfer （CT）. The luminescent properties of Ca2Snl_xCexO4 have been compared with those of Sr2CeO4, which is the only material reported so far to show Ce^4＋ CT luminescence. More interestingly, it is observed that the emission intensity of Ca2Sn1-xCexO4 with a small doping concentration （x - 0.03） is comparable to that of Sr2CeO4 in which the concentration of active centre is 100%.     

The effects of interstitial oxygen on superconducting electronic phases in strontium and oxygen co-doped La1.937Sr0.063CuO4＋δ

Strontium and oxygen co-doped La1.937Sr0.063CuO4＋δ superconductor with Tc≈ 40K, which is obtained by oxidizing strontium-doped starting ceramic sample La1.937Sr0.063CuO4 in NaC10 solution, is annealed under different conditions to allow interstitial oxygen to redistribute. The evolution of the intrinsic superconducting property with the oxygen redistribution is studied in detail by magnetic measurements in various fields. It is found that there occurs the electronic phase separation from the single superconducting phase with Tc ≈ 40 K into two coexisting superconducting states with values of Tc： 15 and 40K or of 15 and 35 K in this system, depending on annealing condition. Our results indicate that the 15, 35 and 40 K superconducting phases associated with the excess oxygen redistribution are all thermodynamically meta-stable intrinsic states in this Sr/O co-doped cuprate.     

A b initio calculation of the growth of Te nanorods and Bi2Te3 nanoplatelets

In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.     

Low-field electron emission from pinaster-like MoO2 nanoarrays as two-stage emitters

Low-field electron emission is obtained from the pinaster-like MoO2 nanoarrays. The turn-on field of the pinasterlike MoO2 nanoarrays is found to be as low as 2.39 V/μm with the current density of 10μA/cm2. The enhancement factor is extracted to be 3590 from the Fowler-Nordheim plot. These excellent emission properties are attributed to the special structure of the pinaster-like MoO2 nanoarrays and confirmed by the calculation in the frame of the two -stage model. Our results show that the pinaster-like MoO2 nanoarrays are promising candidate in realizing field emission displays.     

Electron spin resonance study of the Ba-doping manganite Nd0.5Sr0.5MnO3

We have performed magnetization measurements and electron spin resonance （ESR） on polycrystalline manganites of Nd0.5Sr0.5-xBaxMnO3 （x = 0.1）. Phase separation and phase transitions are observed from the susceptibility and the ESR spectra data. Between 260 K （～ Tc） and 185 K （～ TN）, the system coexists of the paramagnetic phase and the ferromagnetic （FM） phase. Between 185 K and 140 K, the system coexists of the FM phase and the antiferromagnetic （AFM） phase. These results indicate that the system has a very complex magnetic state due to the origin of the instability stemming from manganite Nd0.5Sr0.4Ba0.1MnO3 by partially substituting the larger Ba^2＋ ions for the smaller Sr^2＋ ions.     

Elastic collisions of sulfur and hydrogen in their ground states at low temperatures and spectroscopic parameters of SH（X^2∏） radical

This paper constructs the interaction potential of the SH（X^2∏） radical by using the coupled-cluster singlesdoubles-approximate-triples theory combining the correlation-consistent quintuple basis set augmented with the diffuse functions, aug-cc-pV5Z, in the valence range. Employing the potential, it accurately determines the spectroscopic parameters. The present De, Re, ωe, ωeχe, ae and Be values are of 3.7767eV, 0.13424nm, 2699.846 cm^-1, 47.7055 cm^-1, 0.2639cm^-1 and 9.4414 cm^-1, respectively, which are in excellent agreement with those obtained from the measure- ments. A total of 19 vibrational states has been found when J = 0 by solving the radial SchrSdinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which are in good accord with the experimental results. The total and various partial-wave cross sections are computed for the elastic collisions of sulfur and hydrogen in their ground states at low temperatures when two atoms approach each other along the SH（X^2∏） potential energy curve. Over the impact energy range from 1.0×10^-11 to 1.0×10^-4 a.u., eight shape resonances have been found in the total elastic cross sections. For each shape resonance, the resonant energy is accurately calculated. Careful investigations have pointed out that these resonances result from the 1 = 0, 1, 2, 3, 4, 6, 7, 8 partial-wave contributions.     

Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures

The total internal partition sums were calculated in the product approximation at temperatures up to 5000 K for the asymptotic asymmetric-top HO2 molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with -0.14% at 296 K. Using the calculated partition functions, we have calculated the line intensities of υ2 band of HO2 at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000 K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra of υ2 band of the asymptotic asymmetric-top HO2 molecule at 4000 and 5000 K are also obtained.     

The effect of doped ions on single-molecule magnets of the Mn12-Ac family

This paper investigates the single-molecule magnets of pure and Cr/Fe-doped Mn12-Ac. The components of the mixed crystals are identified by AC susceptibility technique. The ground-state spin and anisotropy parameters of doped Mn12-Ac are obtained： （i） MnllCr-Ac （S=19/2, D=0.62K, B=0.0009K, A=63K）, and （ii） Mn11Fe-Ac （S=21/2, D=0.39 K, B=0.001 K, △=55 K）. The single-ion origin of the magnetic anisotropy is discussed.     

Surface rumples and band gap reductions of cubic BaZrO3 （001） surface studied by means of first-principles calculations

Electronic properties of the （001） surface of cubic BaZrO3 with BaO and ZrO2 terminations have been studied using first-principles calculations. Surface structure, partial density of states, band structure and surface energy have been obtained. We find that the largest relaxation appears in the first layer of atoms, and the relaxation of the BaO-terminated surface is larger than that of the ZrO2-terminated surface. The surface rumpling of the BaO-terminated surface is also larger than that of the ZrO2-terminated surface. Results of surface energy calculations reveal that the BaZrO3 surface is likely to be more stable than the PbZrO3 surface.