Oxidation of ultra-thin zinc films on Rh(100) surface

The oxidation of submonolayer zinc films on Rh(100) surface by O₂ gas has been studied using low-energy electron diffraction (LEED), Auger electron spectroscopy (AES), and scanning tunneling microscopy (STM). With a zinc coverage of 0.8 ML, an atomically flat ultra-thin zinc oxide film formed at an oxygen partial pressure of 2 × 10^? 8 mbar and a temperature of 150 °C. The zinc oxide film showed a c(16 × 2) LEED pattern. The high resolution STM image of the zinc oxide film showed single dotted spots and double dotted spots arranged linearly and periodically along the [01¯1] direction. We propose an atomic arrangement model of the film accounting for the LEED pattern, the STM image, and the atomic arrangement of the bulk ZnO(0001) surface.     

Growth of Sn on Mo(110) studied by AES and STM

Scanning tunneling microscopy (STM) and Auger electron spectroscopy (AES) have been used to investigate the growth behavior of ultra-thin Sn films on a Mo(110) surface at room temperature. An analysis of STM and AES measurements indicates that layer-by-layer growth (Frank-van der Merwe mode) for the first two layers of Sn is observed. For submonolayer coverage, tin prefers to nucleate randomly and creates one atom high islands on Mo terraces. In the completed first and second layer, no ordered regions were observed. As the sample is post-annealed to 800 K, the rearrangement of an existing film suggests a Sn–Mo surface alloy formation.     

Preparation and characterization of iron–molybdate thin films

Mixed Fe–Mo oxides are used in industrial catalytic processes of selective oxidation of methanol to formaldehyde. For better understanding of the structure-reactivity relationships of these catalysts we aim to prepare well-ordered iron–molybdate thin films as model catalysts. Here we have studied Mo deposition onto Fe₃O₄ (111) thin films produced on Pt(111) as a function of Mo coverage and annealing temperature using LEED, AES, STM and IRAS. At low temperatures, the iron oxide film is covered by Mo = O terminated molybdena nanoparticles. Upon oxidation at elevated temperatures (T > 900 K), Mo species migrate into the film and form new bonds with oxygen in the film. The resulting films maintain the crystal structure of Fe₃O₄, and the surface undergoes a (√3 × √3)R30° reconstruction. The structure is rationalized in terms of Fe substitution by Mo in the surface layers.     

Stabilization of high spin FCC Fe in (Fe/Pd)n multilayers

Polycrystalline (Fe/Pd)_n multilayers are grown onto sapphire substrates at room temperature in a UHV system. The number of periods n=40 and the thickness of Pd layers of t_Pd=4 nm are kept constant, whereas the thickness of the Fe layers is varied from 1.5 to 5 nm. Structural properties are studied by in situ reflection high energy diffraction (RHEED), scanning tunnelling microscopy (STM) and ex situ by X-ray diffraction at small angles and large angles. Analyzing the experimental data using the program SUPREX we obtain interplanar distances of d_Fe=2.03±0.01 Å for an Fe layer thickness larger than about 2.5 nm as expected for (1 1 0) planes of BCC Fe. For Fe layers with thicknesses less than about 2.5 nm the interplanar distance is d_Fe=2.1±0.01 Å, which is close to the distance between (1 1 1) planes of FCC Fe with a lattice parameter of a=3.64 Å. Magnetic susceptibility measurements at temperatures between 1.5 and 300 K for (Fe/Pd)_n multilayers with FCC Fe yield a magnetic moment per Fe atom of μ=2.7±0.1 μ_B, which is about 20% larger compared to μ=2.2 μ_B for BCC Fe. We show that the occurrence of the large magnetic moment originates from FCC Fe being in the high spin (HS) state rather than from polarization effects of Pd at Fe/Pd interfaces.     

The growth of Ag films on a TiO2(110)-(1×1) surface

We report here the growth of Ag film and its thermal stability on the TiO₂(1 1 0)-(1×1) surface using combination techniques of low-energy ion scattering (LEIS), X-ray photoelectron spectroscopy (XPS), and low-energy electron diffraction (LEED). At a surface temperature as low as 125 K, a 2D growth of Ag films seems to occur for submonolayer coverages up to ∼0.8 ML. Annealing of low temperature grown Ag films to 500 K for coverage of 1–2.4 ML would result in the formation of metastable Ag layers with rest of Ag forming 3D needle-like islands on top of this Ag film.     

Adsorption of thiophene on silica-supported Mo clusters

The adsorption/decomposition kinetics/dynamics of thiophene has been studied on silica-supported Mo and MoS_x clusters. Two-dimensional cluster formation at small Mo exposures and three-dimensional cluster growth at larger exposures would be consistent with the Auger electron spectroscopy (AES) data. Thermal desorption spectroscopy (TDS) indicates two reaction pathways. H₄C₄S desorbs molecularly at 190–400 K. Two TDS features were evident and could be assigned to molecularly on Mo sites, and S sites adsorbed thiophene. Assuming a standard preexponential factor (ν = 1 × 10¹³/s) for first-order kinetics, the binding energies for adsorption on Mo (sulfur) sites amount to 90 (65) kJ/mol for 0.4 ML Mo exposure and 76 (63) kJ/mol for 2 ML Mo. Thus, smaller clusters are more reactive than larger clusters for molecular adsorption of H₄C₄S. The second reaction pathway, the decomposition of thiophene, starts at 250 K. Utilizing multimass TDS, H₂, H₂S, and mostly alkynes are detected in the gas phase as decomposition products. H₄C₄S bond activation results in partially sulfided Mo clusters as well as S and C residuals on the surface. S and C poison the catalyst. As a result, with an increasing number of H₄C₄S adsorption/desorption cycles, the uptake of molecular thiophene decreases as well as the H₂ and H₂S production ceases. Thus, silica-supported sulfided Mo clusters are less reactive than metallic clusters. The poisoned catalyst can be partially reactivated by annealing in O₂. However, Mo oxides also appear to form, which passivate the catalyst further. On the other hand, while annealing a used catalyst in H/H₂, it is poisoned even more (i.e., the S AES signal increases). By means of adsorption transients, the initial adsorption probability, S₀, of C₄H₄S has been determined. At thermal impact energies (E_i = 0.04 eV), S₀ for molecular adsorption amounts to 0.43 ± 0.03 for a surface temperature of 200 K. S₀ increases with Mo cluster size, obeying the capture zone model. The temperature dependence of S₀(T_s) consists of two regions consistent with molecular adsorption of thiophene at low temperatures and its decomposition above 250 K. Fitting S₀(T_s) curves allows one to determine the bond activation energy for the first elementary decomposition step of C₄H₄S, which amounts to (79 ± 2) kJ/mol and (52 ± 4) kJ/mol for small and large Mo clusters, respectively. Thus, larger clusters are more active for decomposing C₄H₄S than are smaller clusters.     

Characterization of Rh,Mo and Rh–Mo particles formed on TiO2(110) surface: A TDS,AES and RAIRS study

The structural and chemical characterization of Rh, Mo and Rh–Mo nanosized clusters formed by physical vapor deposition on TiO₂ single crystal was performed by Auger Electron Spectroscopy (AES), Thermal Desorption Spectroscopy (TDS) and Reflection Absorption Infrared Spectroscopy (RAIRS), applying CO as test molecule. On a slightly reduced titania surface 2D-like growth of Rh was revealed at 300 K up to 0.23 ML coverage by AES and CO-desorption experiments. For CO-saturated Rh particles TDS showed molecular CO desorption in a broad temperature range with T_p = 400, 440, 490 and 540 K (α-states), the latter state appearing only on the smallest Rh particles. The population of γ-state (T_p = 780–820 K) originating from the recombination of C and O atoms on the support began at Θ_Rh = 0.23ML and was maximized at around 1–2 ML Rh coverage, corresponding to 30% dissociation of CO. A possible dissociation precursor on Rh particles is identified as linearly bonded CO on step sites characterized by ν(C–O) of 2017 cm^? 1. Deliberation of CO₂ could not be detected between 170 and 900 K, showing the absence of disproportionation reaction. Instead of oxidizing CO molecules, oxygen atoms stemming from the dissociation of CO attached to the reduced centers of titania, indicating the role of adsorption sites at the perimeter of Rh particles in the decomposition process. 2 ML of predeposited Mo enhanced markedly the dispersion of Rh particles as a result of strong Rh–Mo interaction, but it slightly reduced the molecular α-CO desorption possibly due to enhanced dissociation. The formation of γ-CO was suppressed considerably through elimination of adsorption centers by Mo on the TiO₂ substrate. The reactivity of Rh layers deposited on Mo-covered surface towards CO was reduced after repeated annealing to 600 K due to partial encapsulation of Rh by titania, manifesting in the suppression of the more strongly bonded α-state. Mo-deposits (up to 0.5ML) on Rh particles decreased the saturation coverage of α-CO through a site-blocking mechanism without detectable influence on the binding energy of CO to Rh, indicating Mo island formation. The carbon arising from the decomposition of CO dissolved in the Mo-containing particles formed a solid solution stable even at 900 K, suggesting a possible role of molybdenum carbide regarding the enhanced catalytic activity of Rh clusters.     

Structural and magnetic properties of the double perovskite Sr2MnWO6

The nuclear and magnetic structure and the magnetic properties of the polycrystalline double perovskite Sr₂MnWO₆ have been studied. Rietveld analysis of neutron powder diffraction (NPD) data at T=295 K shows that the sample is tetragonal (space group P4₂/n, a=8.0119(4) Å, c=8.0141(8) Å). Some additional magnetic diffraction peaks were found in the NPD pattern at 10 K, which can be accounted for by antiferromagnetic ordering of spins at the Mn sites. The magnetic unit cell is doubled in all three unit axes directions (a=b=15.9984(8) Å, c=16.012(2) Å) and the manganese moments are coupled antiferromagnetically along the unit cell axes. The total magnetic moment of Mn²⁺ is found to be 2.27(7) μ_B. The antiferromagnetic behaviour was confirmed from magnetisation measurements. The transition from a paramagnetic to an antiferromagnetic state takes place at 13.0±0.1 K.     

Soft chemistry synthesis and characterizations of fully oxidized and reduced NdBaCo2O5+δ phases δ = 0, 1

The double ordered perovskites NdBaCo₂O₅ and NdBaCo₂O₆ were prepared by soft chemistry. The samples were characterized from a structural and chemical point of view, concomitantly with their physical properties. Upon reduction, NdBaCo₂O₅ is formed with a tetragonal unit cell (a = b = 3.94 Å, c = 7.57 Å) and presents an antiferromagnetic behavior. Upon oxidation, a complete stoichiometric ordered phase NdBaCo₂O₆ with a tetragonal unit cell (a = b = 3.88 Å, c = 7.63 Å) could be obtained with a ferromagnetic and a metallic behavior. Finally it is shown that these phases are able to reversibly catch and release oxygen, suggesting a high anionic conductivity.     

Oxygen non-stoichiometry and electrical conductivity of Pr2−xSrxNiO4±δ with x = 0–0.5

Oxygen non-stoichiometry and electrical conductivity of the Pr_2−xSr_xNiO_4±δ series with x = 0.0–0.5 were investigated in Ar/O₂ (pO₂ = 2.5 to 21 000 Pa) within a temperature range of 20–1000 °C. The equilibrium values of oxygen non-stoichiometry and electrical conductivity of these nickelates were determined as functions of temperature and oxygen partial pressure (pO₂). The nickelates with x = 0–0.5 appear to be p-type semiconductors in the investigated temperature and pO₂ ranges. The nickelates with x = 0.3–0.5 show very feebly marked pO₂ dependencies of the conductivity. Pr_1.7Sr_0.3NiO_4±δ shows the anomalies of the conductivity versus oxygen partial pressure which can be related to the orthorhombic–tetragonal crystal structure transformations. The conductivity of the Pr_2−xSr_xNiO_4±δ samples correlates with the average oxidation state of the nickel cations. The samples with x = 0.5 have the highest nickel oxidation state (≈ 2.5+), the highest [Ni³⁺]/[Ni²⁺] ratio close to 1 and show the highest conductivity (≈ 120 S/cm) in the whole pO₂ and temperature ranges investigated.     

Adsorption of chlorine on Ru(0001)—A combined density functional theory and quantitative low energy electron diffraction study

Chlorine adsorption on Ru(0001) surface has been studied by a combined density functional theory (DFT) and quantitative low energy electron diffraction (LEED) approach. The (√3 × √3)R30°-Cl phase with Θ_Cl = 1/3 ML and chlorine sitting in fcc sites has been identified by DFT calculations as the most stable chlorine adsorbate structure on Ru(0001) with an adsorption energy of ? 220 kJ/mol. The atomic geometry of (√3 × √3)R30°-Cl was determined by quantitative LEED. The achieved agreement between experimental and simulated LEED data is quantified by a Pendry factor of r_P = 0.19 for a fcc adsorption site with a Cl-Ru bond length of 2.52 Å. At chlorine coverages beyond 1/3 ML LEED reveals diffuse diffraction rings, indicating a continuous compression of the hexagonal Cl overlayer with a preferred average Cl–Cl distance of 4.7 Å in the (√3 × √3)R30°-Cl, Θ_Cl = 1/3 ML phase towards 3.9 Å at saturation coverage of 0.48 ML.     

Symmetrical transition of an atomic arrangement for 2D Bi films on Rh(111)

The atomic arrangement of submonolayer Bi films on Rh(111) surface was examined using low-energy electron diffraction (LEED) and scanning tunneling microscopy (STM). With low coverage, the LEED patterns showed incommensurate (IC) spots. The unit cell of IC was close to c(2 × 4) and had twofold symmetry. As the coverage increased, the unit cell shrank continuously along the [$\overline{1}10$] direction, and the commensurate c(2 × 4) was formed at a coverage of 0.5 ML. At the coverage above 0.5 ML, two different structures of c(2 × 4) and (4 × 4) were observed by STM. When the surface is fully saturated by monolayer Bi atoms, Bi atoms formed the uniform (4 × 4) structure with sixfold symmetry. This is due to a strong Bi–Rh attractive interaction resulting in the two-dimensional localization of Bi adsorbates on the surface. As a result, a symmetrical transition of Bi films from twofold to sixfold symmetry occurred on Rh(111).     

Interfacial reactions of Ba2YCu3O6+z with coated conductor buffer layer,LaMnO3

Chemical interactions between the Ba₂YCu₃O_6+x superconductor and the LaMnO₃ buffer layers employed in coated conductors have been investigated experimentally by determining the phases formed in the Ba₂YCu₃O_6+x–LaMnO₃ system. The Ba₂YCu₃O_6+x–LaMnO₃ join within the BaO–(Y₂O₃–La₂O₃)–MnO₂–CuO_x multi-component system is non-binary. At 810 °C (p_O2 = 100 Pa) and at 950 °C in purified air, four phases are consistently present along the join, namely, Ba_2?x(La_1+x?yY_y)Cu₃O_6+z, Ba(Y_2?xLa_x)CuO₅, (La_1?xY_x)MnO₃, (La,Y)Mn₂O₅. The crystal chemistry and crystallography of Ba(Y_2?xLa_x)CuO₅ and (La_1?xY_x)Mn₂O₅ were studied using the X-ray Rietveld refinement technique. The Y-rich and La-rich solid solution limits for Ba(Y_2?xLa_x)CuO₅ are Ba(Y_1.8La_0.2)CuO₅ and Ba(Y_0.1La_1.9)CuO₅, respectively. The structure of Ba(Y_1.8La_0.2)CuO₅ is Pnma (No. 62), a = 12.2161(5) Å, b = 5.6690(2) Å, c = 7.1468(3) Å, V = 494.94(4) Å³, and D_x = 6.29 g cm^?3. YMn₂O₅ and LaMn₂O₅ do not form solid solution at 810 °C (p_O2 = 100 Pa) or at 950 °C (in air). The structure of YMn₂O₅ was confirmed to be Pbam (No. 55), a = 7.27832(14) Å, b = 8.46707(14) Å, c = 5.66495(10) Å, and V = 349.108(14) Å³. A reference X-ray pattern was prepared for YMn₂O₅.     

Polymorphic phase transition and thermal stability in squaric acid (H2C4O4)

Phase transformations in squaric acid (H₂C₄O₄) have been investigated by thermogravimetry and differential scanning calorimetry with different heating rates β. The mass loss in TG apparently begins at onset temperatures T_di=245±5 °C (β=5 °C min^?1), 262±5 °C (β=10 °C min^?1), and 275±5 °C (β=20 °C min^?1). A polymorphic phase transition was recognized as a weak endothermic peak in DSC around 101 °C (T_c⁺). Further heating with β=10 °C min^?1 in DSC revealed deviation of the baseline around 310 °C (T_i), and a large unusual exothermic peak around 355 °C (T_p), which are interpreted as an onset and a peak temperature of thermal decomposition, respectively. The activation energy of the thermal decomposition was obtained by employing relevant models. Thermal decomposition was recognized as a carbonization process, resulting in amorphous carbon.     

Thermal and electrical conductivities of silver–indium–tin alloys

The variations of thermal conductivity with temperature for the Ag–[x] wt% Sn–20 wt% In alloys (x=8, 15, 35, 55 and 70) were measured using a radial heat flow apparatus. From the graphs of thermal conductivity versus temperature, the thermal conductivities of solid phases at their melting temperature for the Ag–[x] wt% Sn–20 wt% In alloys (x=8, 15, 35, 55 and 70) were found to be 46.9±3.3, 53.8±3.8, 61.2±4.3, 65.1±4.6 and 68.1±4.8 W/Km, respectively. The variations of electrical conductivity of solid phases versus temperature for the same alloys were determined from the Wiedemann–Franz equation using the measured values of thermal conductivity. From the graphs of electrical conductivity versus temperature, the electrical conductivities of the solid phases at their melting temperatures for the Ag–[x] wt% Sn–20 wt% In alloys (x=8, 15, 35, 55 and 70) alloys were obtained to be 0.036, 0.043, 0.045, 0.046 and 0.053 (×10⁸/Ωm), respectively. Dependencies of the thermal and electrical conductivities on the composition of Sn in the Ag–Sn–In alloys were also investigated. According to present experimental results, the thermal and electrical conductivities for the Ag–[x] wt% Sn–20 wt% In alloys linearly decrease with increasing the temperature and increase with increasing the composition of Sn.     

Surface X-ray diffraction analysis of Fe nanostructured films grown on c(2 × 2)-N/Cu(100)

We report the results of a Surface X-Ray Diffraction (SXRD) study of Fe nanostructured films deposited on c(2 × 2)-N/Cu(100) at room temperature (RT), with Fe coverage Θ_Fe = 0.5 ML and Θ_Fe = 1 ML. The c(2 × 2)-N/Cu(100) surface is an example of self-organised system, that can be used for growth of arrays of metal nano-islands and organic molecules assemblies. We chose two different values of N coverage, Θ_N = 0.3 ML and Θ_N = 0.5 ML, the second value corresponding to N saturation. We monitored the presence of surface diffraction peaks in hk scans and we performed Crystal Truncation Rods (CTR) analysis with ROD fitting programme. In the case of Θ_N = 0.5 ML, i.e. at saturation coverage, the CTR could be fitted with one surface domain with p4gm(2 × 2) symmetry. In the surface cell adopted, N atoms occupy four-fold hollow sites, with Fe (intermixed with Cu) giving rise to a “clock” reconstruction previously observed on iron nitride films obtained by co-deposition and annealing. This result is an indirect confirmation of N surface segregation on top of the Fe films, occurring during the growth at RT. When subsaturation N coverage (Θ_N = 0.3 ML) is used as a substrate for Fe deposition, the best results could be obtained with a model where two surface domains are present: the first one corresponds to a surface cell with Fe sitting in four-fold hollow sites on bare Cu areas, with possible interdiffusion in the second lattice. The second domain is assigned to growth of Fe on the N-covered square islands occurring once the bare Cu areas are fully covered. The SXRD analysis on N-covered surface domains shows that the mechanism of reconstruction and of N segregation on top layer is already active at RT for all N-coverage values.     

Stishovite and post-stishovite polymorphs of silica in the shergotty meteorite: their nature,petrographic settings versus theoretical predictions and relevance to Earth's mantle

The Shergotty meteorite contains three dense silica polymorphs in distinct petrographic settings: (1) two post-stishovite SiO₂ polymorphs in individual multiphase grains coexisting with glass with nearly labradorite composition, and (2) large individual stishovite grains in shock-melt pockets which also contain the new CAS phase (Calcium-aluminosilicate; CaAl₄Si₂O₁₁; [Phys Earth Planet Interiors 97 (1996) 97; Geophys Abstract 5(2003)] and hollandite structured plagioclase composition. Prismatic and wedge-shaped grains of the original accessory tridymite (or cristobalite) in the Shergotty meteorite were densified during a major impact event on the Shergottite–Nakhlite–Chaissingite (SNC) parent body and inverted either to (1) multiphase assemblages of several post-stishovite polymorphs depicting prominent tweed pattern or to (2) Large homogeneous stishovite grains in melt pockets. In the first setting we identified an orthorhombic and a monoclinic post-stishovite silica polymorph, respectively. TEM investigations of a grain containing the orthorhombic polymorph revealed an α-PbO₂ like phase that could be assigned to either Pnc2 (with the cell parameters: a=4.55±0.01 Å, b=4.16±0.03 Å, c=5.11±0,04 Å), or Pbcn space group and dense SiO₂ glass. The X-ray diffraction pattern from a second grain revealed a polymorph with a monoclinic lattice with the space group P21/c, that is related to the baddeleyite (ZrO₂) structure with the cell parameters: a=4.375(1) Å, b=4.584(1) Å, c=4.708(1) Å, β=99.97(3), ρ=4.30(2) g/cm³. TEM-SAED pattern of this grain revealed the presence of the α-PbO₂-like SiO₂ polymorph, stishovite, secondary cristobalite, and dense silica glass. The coexistence of several high-density polymorphs and dense silica glass in the same grain suggests that several post-stishovite phases were formed during the shock event in Shergotty. Some of these polymorphs were highly unstable and vitrified, presumably in the decompression stage. Based on diamond anvil experiments on cristobalite a peak shock pressure in excess of 40 GPa could be deduced. The petrographic setting and texture of the single stishovite grains in the melt pockets is different. The mono-phase individual grains occur exclusively as large (>10 μm) rounded objects inside melt pockets together with hollandite structured plagioclase composition and the new CAS phase [1]. Stishovite in melt pockets is barren of any sign of a tweed pattern and contains no silica glass. This suggests that the mechanisms of phase transitions were different in the two lithologies. Stishovite in the melt pockets probably did not form by a retrograde transformation from a post-stishovite polymorph.     

Optical and dielectric studies of solution grown glycinium maleate single crystal

Bulk single crystals of glycinium maleate have been grown from aqueous solution by slow evaporation method by optimizing the growth parameters within a period of 15 days. From X-ray diffraction analysis, the crystal was found to crystallize in monoclinic structure (space group C_2/c) with a = 17.866 Å, b = 5.684 Å, c = 17.408 Å and β = 112.65°. Presence of characteristic functional groups was confirmed in FTIR analysis. UV–Vis spectral analysis has revealed the absence of any high absorbance region between the wavelengths ranging from 300 to 900 nm. The optical band gap was calculated and found to be 3.91 eV. The activation energy for conduction at different frequencies was calculated and found to decrease from 0.54 eV to 0.41 eV as frequency increased from 100 Hz to 2 MHz. The dielectric behavior, conduction mechanism and the optical characterization of the glycinium maleate single crystals are being reported for the first time.     

Studies on the optical and mechanical properties of non-linear optical 3-aminophenol orthophosphoric acid (3-amphph) single crystal

Single crystals of semiorganic material 3-aminophenol orthophosphoric acid (denoted as 3-amphph) of size 29 × 17 × 4 mm³ have been grown by the slow evaporation of an aqueous solution of deionized water at 50 °C. The crystal belongs to orthorhombic system with the non centrosymmetric space group P2₁2₁2₁. The lattice parameter values of 3-amphph crystal are a = 4.481(2) Å, b = 9.782(4) Å and c = 18.326(4) Å. The grown crystals are subjected to single crystal XRD studies to identify its morphology and structure. Optical transmittance and second harmonic generation of the grown crystals have been studied by UV–Vis–NIR spectrum and Kurtz powder technique respectively. The transmittance of 3-amphph crystal has been used to calculate the refractive index n, the extinction coefficient k, reflectance R and both the real (?_r) and imaginary (?_i) components of the dielectric constant as a function of wavelength. The optical band gap of 3-amphph is 4.05 eV with direct transition. The anisotropic mechanical behavior of 3-amphph has been analyzed using Vickers microhardness test. The mechanism of growth is revealed by carrying out chemical etching using water as etchant.     

Synthesis,crystal growth and characterization of a semiorganic material: Calcium dibromide bis(glycine) tetrahydrate

Single crystals of semiorganic material calcium dibromide bis(glycine) tetrahydrate were grown from aqueous solution. The crystal belongs to monoclinic system, with a = 13.261(5) Å, b = 6.792(2) Å, c = 15.671(9) Å and β = 91.68(4)°. The presence of the elements in the title compound was confirmed by energy dispersive X-ray analysis. The solubility and metastable zone width were found. The grown crystals were tested by powder XRD, FTIR, Thermo Gravimetric and Differential Thermal Analysis, UV–vis–NIR analysis, dielectrical and mechanical studies. The transmittance of calcium dibromide bis(glycine) tetrahydrate crystal has been used to calculate the refractive index n, the extinction coefficient K and both the real ɛ_r and imaginary ɛ_i components of the dielectric constant as functions of wavelength. The optical band gap of calcium dibromide bis(glycine) tetrahydrate is 3.23 eV.