Electron and hole injection barriers between silicon substrate and RF magnetron sputtered In2O3 : Er films

In2O3 : Er films have been synthesized on silicon substrates by RF magnetron sputter deposition. The currents through the synthesized metal/oxide/semiconductor (MOS) structures (Si/In2O3 : Er/In-contact) have been measured for n and p type conductivity silicon substrates and described within the model of majority carrier thermoemission through the barrier, with bias voltage correction to the silicon potential drop. The electron and hole injection barriers between the silicon substrate and the film have been found to be 0.14 and 0.3 eV, respectively, by measuring the temperature dependence of the forward current at a low sub-barrier bias. The resulting low hole injection barrier is accounted for by the presence of defect state density spreading from the valence band edge into the In2O3 : Er band gap to form a hole conduction channel. The presence of defect state density in the In2O3 : Er band gap is confirmed by photoluminescence data in the respective energy range 1.55–3.0 eV. The band structure of the Si/In2O3 : Er heterojunction has been analyzed. The energy gap between the In2O3 : Er conduction band electrons and the band gap conduction channel holes has been estimated to be 1.56 eV

Synthesis, structure and properties of Na[AsW2_{2}O9_{9}]

Single crystal and polycrystalline powder samples of sodium arseno-tungstate of composition Na[AsW2O9] were synthesized using high-temperature solid-state methods. The greenish single crystals of the phase were characterized by X-ray diffraction data structure determination and the bulk compound confirmed by powder X-ray data Rietveld refinements. Additionally, scanning electron microscopy (SEM) attached with energy dispersive X-Ray spectroscopy (EDX), thermogravimetry (TG), differential scanning calorimetry (DSC), fourier transform infrared (FTIR) and Raman spectroscopy was performed. A comparative study between Na[AsW2O9] and isotypic K[AsW2O9] demonstrates the structural modifications and the consequent properties. Placing sodium in the channel of the arseno-tungstate framework, the average Assingle bondO and Wsingle bondO bond distances did not change due to their rigid-unit like behaviors. However, the unit cell volume contracted about 7.4% caused by shrinkage of the channel dimensions due to shorter Nasingle bondO bond distances. The non-linear optical property of the compound has been explained in terms of asymmetric Wsingle bondO and Assingle bondO chemical bonding led by WO6 and AsO4 polyhedral distortion, respectively

Exploration of structural, vibrational and spectroscopic properties of self-activated orthorhombic double molybdate RbEu(MoO4)2 with isolated MoO4 units

RbEu(MoO4)2 is synthesized by the two-step solid state reaction method. The crystal structure of RbEu(MoO4)2 is defined by Rietveld analysis in space group Pbcn with cell parameters a=5.13502(5), b=18.8581(2) and c=8.12849(7) Å, V=787.13(1) Å3, Z=4 (RB=0.86%). This molybdate possesses its phase transition at 817 K and melts at 1250K. The Raman spectra were measured with the excitation at =1064 and 514.5nm. The photoluminescence spectrum is evaluated under the excitation at 514.5nm. The absolute domination of hypersensitive 5D0→7F2 transition is observed. The ultranarrow 5D0→7F0 transition in RbEu(MoO4)2 is positioned at 580.2nm being 0.2nm blue shifted, with respect to that in Eu2(MoO4)3

Electron and hole injection barriers between silicon substrate and RF magnetron sputtered In2O3 : Er films

In2O3 : Er films have been synthesized on silicon substrates by RF magnetron sputter deposition. The currents through the synthesized metal/oxide/semiconductor (MOS) structures (Si/In2O3 : Er/In-contact) have been measured for n and p type conductivity silicon substrates and described within the model of majority carrier thermoemission through the barrier, with bias voltage correction to the silicon potential drop. The electron and hole injection barriers between the silicon substrate and the film have been found to be 0.14 and 0.3 eV, respectively, by measuring the temperature dependence of the forward current at a low sub-barrier bias. The resulting low hole injection barrier is accounted for by the presence of defect state density spreading from the valence band edge into the In2O3 : Er band gap to form a hole conduction channel. The presence of defect state density in the In2O3 : Er band gap is confirmed by photoluminescence data in the respective energy range 1.55–3.0 eV. The band structure of the Si/In2O3 : Er heterojunction has been analyzed. The energy gap between the In2O3 : Er conduction band electrons and the band gap conduction channel holes has been estimated to be 1.56 eV

Structural, Electronic and Vibrational Properties of YAl3(BO3)4

The crystal structure of YAl3(BO3)4 is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically and experimentally. The experimental Raman and Infrared spectra are interpreted using the results of ab initio calculations within density functional theory. The phonon band gap in the Infrared spectrum is observed in both trigonal and hypothetical monoclinic structures of YAl3(BO3)4. The electronic band structure is studied theoretically, and the value of the band gap is obtained. It was found that the YAl3(BO3)4 is an indirect band gap dielectric material

Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3

New ternary molybdate Cs2NaBi(MoO4)3 is synthesized in the system Na2MoO4–Cs2MoO4–Bi2(MoO4)3. The structure of Cs2NaBi(MoO4)3 of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å3, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs2NaBi(MoO4)3 up to the melting point at 826 K. The compound shows an SHG signal, I2w/I2w(SiO2)=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured

Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3

New ternary molybdate Cs2NaBi(MoO4)3 is synthesized in the system Na2MoO4–Cs2MoO4–Bi2(MoO4)3. The structure of Cs2NaBi(MoO4)3 of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å3, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs2NaBi(MoO4)3 up to the melting point at 826 K. The compound shows an SHG signal, I2w/I2w(SiO2)=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured

K[AsW2O9], the first member of the arsenate–tungsten bronze family: Synthesis, structure, spectroscopic and non-linear optical properties

K[AsW2O9], prepared by high-temperature solid-state reaction, is the first member of the arsenate–tungsten bronze family. The structure of K[AsW2O9] is based on a 3-dimensional (3D) oxotungstate–arsenate framework with the non-centrosymmetric P212121 space group, a=4.9747(3) Å, b=9.1780(8) Å, c=16.681(2) Å. The material was characterized using X-ray diffraction, scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Raman and infrared (IR) spectroscopic techniques. The results of DSC demonstrate that this phase is stable up to 1076 K. Second harmonic generation (SHG) measurements performed on a powder sample demonstrate noticeable (0.1 of LiIO3) non-linear optical (NLO) activity

Synthesis, Structural, Thermal, and Electronic Properties of Palmierite-Related Double Molybdate α‑Cs2Pb(MoO4)2

Krystaly Cs2Pb (MoO4) 2 byly připraveny krystalizací ze své vlastní taveniny a struktura krystalů byla podrobně studována. Při 296 K molybdenát krystalizuje v a-formě s nízkou teplotou a má monoklinickou nadstavbu příbuznou palmititu (prostorová skupina C2 / m, a = 2,13755 (13) nm, b = 1,23123 (8) nm, c = 1,68024 ) Nm, P = 115,037 (2) °, Z = 16)Cs2Pb (MoO4)2 crystals were prepared by crystallization from their own melt, and the crystal structure has been studied in detail. At 296 K, the molybdate crystallizes in the low temperature α-form and has a monoclinic palmierite-related superstructure (space group C2/m, a = 2.13755(13) nm, b = 1.23123(8) nm, c = 1.68024(10) nm, β = 115.037(2)°, Z = 16

Exploration of the crystal structure and thermal and spectroscopic properties of monoclinic praseodymium sulfate Pr2(SO4)3

Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr2(SO4)3 is crystallized in the monoclinic structure, space group C2/c, with cell parameters a = 21.6052 (4), b = 6.7237 (1) and c = 6.9777 (1) Å, β = 107.9148 (7)°, Z = 4, V = 964.48 (3) Å3 (T = 150 °C). The thermal expansion of Pr2(SO4)3 is strongly anisotropic. As was obtained by XRD measurements, all cell parameters are increased on heating. However, due to a strong increase of the monoclinic angle β, there is a direction of negative thermal expansion. In the argon atmosphere, Pr2(SO4)3 is stable in the temperature range of T = 30–870 °C. The kinetics of the thermal decomposition process of praseodymium sulfate octahydrate Pr2(SO4)3·8H2O was studied as well. The vibrational properties of Pr2(SO4)3 were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr2(SO4)3 was evaluated by ab initio calculations, and it was found that the valence band top is dominated by the p electrons of oxygen ions, while the conduction band bottom is formed by the d electrons of Pr3+ ions. The exact position of ZPL is determined via PL and PLE spectra at 77 K to be at 481 nm, and that enabled a correct assignment of luminescent bands. The maximum luminescent band in Pr2(SO4)3 belongs to the 3P0 → 3F2 transition at 640 nm