Filters
total: 139
filtered: 138
Chosen catalog filters
Search results for: LATTICE DYNAMICS
-
Investigation of magnetic order in a new intermetallic compound Nd2PtGe3
PublicationIn the present study we report a successful synthesis of the new intermetallic compound Nd2PtGe3 by an arc-melting method. The powder X-ray diffraction analysis indicates that this compound crystallizes in an disordered variant of the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.2455 Å and c = 4. 1933 Å. The compound exhibits a cluster-glass transition below Tf = 2.9 K, characterized through ac...
-
Strong ellipticity conditions and infinitesimal stability within nonlinear strain gradient elasticity
PublicationWe discuss connections between the strong ellipticity condition and the infinitesimal instability within the nonlinear strain gradient elasticity. The strong ellipticity (SE) condition describes the property of equations of statics whereas the infinitesimal stability is introduced as the positive definiteness of the second variation of an energy functional. Here we establish few implications which simplify the further analysis...
-
Application of a cellular automaton to simulations of granular flow in silos
PublicationA cellular automaton based on a gas model of hydrodynamics was used to calculate the kinematics of non-cohesive granular materials during confined flow in a mass flow and funnel flow model silo. In the model, collisions of particles were taken into account during granular flow. In addition, a simplified automaton was used wherein granular flow was assumed as an upward propagation of holes through a lattice composed of cells representing...
-
Curing epoxy with electrochemically synthesized Zn Fe3-O4 magnetic nanoparticles
PublicationCathodic electrodeposition (CED) was applied in synthesis of undoped and zinc (Zn) doped Fe3O4 nanoparticles. Changes in the lattice structure of nanoparticles were monitored using X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM) supported by dispersive X-ray spectrometry (EDS), and vibrating sample magnetometry (VSM). Detailed analyses explored the formation of ZnxFe3–xO4 nanoparticles with x ≈ 0.1,...
-
Tuning the ferromagnetic phase in the CDW compound SmNiC2 via chemical alloying
PublicationWe report a study on tuning the charge density wave (CDW) ferromagnet SmNiC2 to a weakly coupled superconductor by substituting La for Sm. X-ray diffraction measurements show that the doped compounds obey Vegard’s law, where La (Lu) alloying expands (shrinks) the lattice due to its larger (smaller) atomic size than Sm. In the series Sm1−xLaxNiC2, CDW transition (TCDW =148K) for SmNiC2 is gradually suppressed, while the ferromagnetic...
-
Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects
PublicationSuperconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds, the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin–orbit coupling on the electron–phonon coupling, we suggest a possible...
-
The homometallic warwickite V 2 OBO 3
PublicationThe synthesis, structure and elementary magnetic characterization of the homometallic warwickite V2OBO3 are reported. The material adopts the orthorhombic warwickite structure type at room temperature, space group Pnma (No. 62) with lattice parameters a = 9.2317(1) Å, b = 3.1172(1) Å, and c = 9.5313(1) Å. Temperature-dependent magnetic susceptibility, electrical resistivity, and specific heat measurements show anomalies near 35 K,...
-
Structure and water uptake in BaLnCo2O6−δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy)
PublicationThe structure of BaLnCo2O6-δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy) was studied by the means of synchrotron radiation powder X-ray diffraction, neutron powder diffraction and Transmission Electron Microscopy (TEM), while water uptake properties were analysed with the use of thermogravimetry (TG) and water adsorption isotherms. The structure refinement revealed that the dominant phase in all compositions was orthorhombic with an ordering...
-
Chemical Pressure Tuning Magnetism from Pyrochlore to Triangular Lattices
PublicationGeometrically frustrated lattices combined with magnetism usually host quantum fluctuations that suppress magnetic orders and generate highly entangled ground states. Three-dimensionally (3D) frustrated magnets generally exist in the diamond and pyrochlore lattices, while two-dimensionally (2D) frustrated geometries contain Kagomé, triangular, and honeycomb lattices. In this work, we reported using chemical pressure to tune the magnetism...
-
Improving Thermal Insulation Properties for Prefabricated Wall Components Made of Lightweight Aggregate Concrete with Open Structure
PublicationPorous concrete is commonly used in civil engineering due to its good thermal insulation properties in comparison with normal concrete and high compression strength in comparison with other building materials. An extremely porous concrete, called ‘lightweight aggregate concrete with open structure’ (LAC), is used in some German plants to produce prefabricated wall components. They are used mainly in hall buildings, e.g. supermarkets....
-
Electrical and structural properties of Nb-doped SrTiO3
PublicationNiobium-doped strontium titanate synthesized via conventional solid-state reaction has been studied. Influence of niobium content on the lattice parameters and electrical conductivity has been reported. Various reduction conditions have been investigated. For samples reduced in hydrogen at 1400°C, a transition from thermally activated to metallic behavior has been observed. Maximum electrical conductivity (ca. 55 Scm−1 at 650°C)...
-
Marcinkiewicz Averages of Smooth Orthogonal Projections on Sphere
PublicationWe construct a single smooth orthogonal projection with desired localization whose average under a group action yields the decomposition of the identity operator. For any full rank lattice \Gamma ⊂ R^d , a smooth projection is localized in a neighborhood of an arbitrary precompact fundamental domain R^d / \Gamma. We also show the existence of a highly localized smooth orthogonal projection, whose Marcinkiewicz average under the...
-
Modelowanie kratownicy z kształtowników giętych na zimno z mimośrodami dodatnimi w węźle = Modelling of truss with cold-formed section and positive eccentricyty in the node.
PublicationThe topic of this research is establishing load-carrying capacity of compressed and tensed chords of trusses made of cold-formed open cross-sections. Occurrence of bending in the truss’ chord is the result of specific production technology assumed by the designer and producer of lattice girder’s systems. The aim of this research is to present methodology of conduct while creating numerical models that best depict the behaviour...
-
Modeling of truss with cold-formed section and positive eccentricity in the node
PublicationThis work is dedicated to establishing the load carrying capacity of tensed and compressed truss’ nodes made of cold-formed open cross sections. The occurrence of bending in the truss’ nodes is the result of a specific production technology for system lattice girders assumed by the designer and the producer. The aim of this research is to present the methodology of conduct for creation of computational models that best depict the...
-
Crystal growth and properties of a binary intermetallic ZrBi2 compound
PublicationSingle crystals of ZrBi2 were grown by a self-flux method. The material adopts TiAs2 structure type with lattice parameters: a = 10.233(4) Å, b = 15.581(2) Å, c = 3.994(5) Å. Crystals of ZrBi2 were studied by means of magnetic susceptiblity, specific heat and resistivity measurements. The compound reveals a metallic-like behavior (RRR = 30). The Sommerfeld coefficient equals γ = 1.59(16) mJ mol-1 K-2 and Debye temperature ΘD =...
-
A Nonlinear Model of a Mesh Shell
PublicationFor a certain class of elastic lattice shells experiencing finite deformations, a continual model using the equations of the so-called six-parameter shell theory has been proposed. Within this model, the kinematics of the shell is described using six kinematically independent scalar degrees of freedom — the field of displacements and turns, as in the case of the Cosserat continuum, which gives reason to call the model under consideration...
-
The electronic characterization of the cubic Laves-phase superconductor CaRh2
PublicationWe present the synthesis and experimental characterization of the electronic properties of the cubic Laves phase superconductor CaRh2. Its crystal structure was confirmed by powder X-ray diffraction and its ambient temperature lattice parameter (a = 7.5326(6) Å) is in good agreement with the literature. Magnetization, resistivity and heat-capacity measurements indicate that CaRh2 is a moderate-coupling type-II superconductor (λe-p = 0.89)...
-
Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
PublicationThe synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3,I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one,C22H16O3,II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H---O and O—H---O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated...
-
9-(Trichloroacetylimino)acridine monohydrate
PublicationThe title compound, alternatively called N-acridin-9(10H)-ylidene-2,2,2-trichloroacetamide monohydrate, C15H9Cl3N2O·H2O, crystallizes in space group P21/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)° relative to the ac plane, while adjacent molecules pack in a head-to-tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen...
-
Nonlinear strain gradient and micromorphic one-dimensional elastic continua: Comparison through strong ellipticity conditions
PublicationWe discuss the strong ellipticity (SE) conditions for strain gradient and micromorphic continua considering them as an enhancement of a simple nonlinearly elastic material called in the following primary material. Recently both models are widely used for description of material behavior of beam-lattice metamaterials which may possess various types of material instabilities. We analyze how a possible loss of SE results in the behavior...
-
Synthesis and physical properties of Sm2PdGe3 in a context of RE2PdGe3 family
PublicationIn this study, we present the crystallographic and magnetic characterization of a new intermetallic compound Sm2PdGe3, which was synthetized by a two stage method employing an eutectic alloy. The investigations carried out exhibited, that Sm2PdGe3 crystallize in AlB2-type structure with lattice parameters a = 4.2189(1) Å and c = 4.1031(2) Å. This compound can be classified as a cluster-glass with a spin freezing temperature Tf...
-
Superconductivity and ferromagnetism in Pd doped Y9Co7
PublicationThe ferromagnetic superconductor Y9Co7 was chemically doped to yield the solid solution Y9Co7-xPdx for 0 < x < 0.4. The lattice parameter a does not depend on x, whereas c increases with increasing Pd content up to x ¼ 0.2, the palladium solubility limit. The transition from ferromagnetism (TC ¼ 4.25 K) to superconductivity (Tsc ¼ 2.4 K) was observed only for the parent Y9Co7 compound. For the lowest tested Pd doping level (x ¼...
-
Synthesis, structure and physical properties of new intermetallic spin glass-like compounds RE2PdGe3 (RE = Tb and Dy)
PublicationNew intermetallic compounds Tb2Pd1.25Ge2.75 and Dy2Pd1.25Ge2.75 have been synthesized using the arc-melting method. The crystallographic structure and magnetic, electronic transport, and thermal properties are reported. The crystal structure obtained from powder x-ray diffraction analysis suggests that these compounds crystallize in the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.228 53(5)/4.230 54...
-
Preliminary experimental research on stability of truss' joint with positive eccentricity
PublicationRecently, a very large interest in lightweight steel structures made from cold-formed sections has been noticeable. In the design practice, a large emphasis is put on rational shaping of both the thin-walled elements and constructions designed on them. The aim of this paper is to present the methodology for preparation of experimental research that model the behaviour of members in trusses made of cold-formed sections with positive...
-
Potential Skyrmion Host Fe(IO3)3: Connecting Stereoactive Lone-Pair Electron Effects to the Dzyaloshinskii-Moriya Interaction
PublicationMagnetic skyrmions, which are topologically distinct magnetic spin textures, are gaining increased attention for their unique physical properties and potential applications in spintronic devices. Here we present a design strategy for skyrmion host candidates based on combinations of magnetic spin, asymmetric building units having stereoactive lone-pair electrons, and polar lattice symmetry. To demonstrate the viability of the proposed...
-
Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublicationThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
-
Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublicationThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
-
Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublicationMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
-
Photocatalytic activity of nitrogen doped TiO2 nanotubes prepared by anodic oxidation: The effect of applied voltage, anodization time and amount of nitrogen dopant
PublicationNitrogen doped TiO2 nanotube arrays were prepared by anodizing Ti foils in an organic electrolyte containing specified amounts of urea as nitrogen precursor. The photocatalytic activity of the samples was evaluated by analyzing the degradation kinetics of phenol in water. The influence of tubes’ length, tubes’ surface morphology and amount of nitrogen in the TiO2 lattice on hydroxyl radical formation efficiency, photocatalytic...
-
ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
-
CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublicationWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
-
Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublicationWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
-
Structure and transport properties of donor-doped barium strontium cobaltites
PublicationIn this work, Nb-substituted barium strontium cobaltites Ba0.5Sr0.5Co1-xNbxO3-δ (x = 0 – 0.4) have been fabricated and studied. The structural analysis showed that the Nb content influences the lattice constant as well as the distance between the (Co, Nb) and oxygen atoms. The study of morphology of samples showed that the Nb content does not change the porosity, grain size and morphology of the ceramics. The total electrical conductivity...
-
MgPdSb─An Electron-Deficient Half-Heusler Phase
PublicationThe half-Heusler family consists of many semiconducting intermetallic compounds, virtually all of them having a valence electron count (VEC) of 18. We have studied an electron-deficient (VEC = 17) phase MgPdSb and its Pd-stuffed variant MgPd1.25Sb. The cubic F4̅3m crystal structure was confirmed by the Rietveld refinement of powder X-ray diffraction (XRD) data. The lattice parameter is a = 6.284 and 6.335 Å for MgPdSb and MgPd1.25Sb,...
-
Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
-
Transparent thin films of Cu-TiO2 with visible light photocatalytic acitivity
PublicationThin films of Cu–TiO2 with a high level of transparency were prepared by a dip-coating procedure on the glass surface. CuCl2 was used as a copper precursor added during sol – gel synthesis of TiO2. The extension of optical absorption into the visible region of as-prepared thin films was indicated by UV/Vis spectroscopy. Only the anatase phase was detected by X-ray di ffraction analysis (XRD). The presence of copper in the structure...
-
Charge density wave and large nonsaturating magnetoresistance in YNiC2 and LuNiC2
PublicationWe report a study of physical properties of two quasi-low-dimensional metals YNiC2 and LuNiC2 including the investigation of transport, magnetotransport, galvanomagnetic, and specific heat properties. In YNiC2 we reveal two subsequent transitions associated with the formation of weakly coupled charge density wave at TCDW=318K and its locking in with the lattice at T1=275K. These characteristic temperatures follow the previously...
-
La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublicationThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
-
Effects of V2O5 Additive on Structure and Dielectric Properties of BiNbO4 Ceramics
PublicationGoal of the present research was to investigate the influence of V2O5 additive on the structure and dielectric properties of BiNbO4 ceramics. To fabricate BiNbO4 ceramics with V2O5 added the solid state reaction route and pressureless sintering was utilized. Thus obtained ceramics was characterized in terms of its microstructure (SEM), chemical composition (EDS), phase composition and crystalline structure (X-ray phase and structural...
-
9-Cyano-10-methylacridinium hydrogen dinitrate
PublicationThe title compound, C15H11N2+·HN2O6−, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9-cyano-10-methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head-to-tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H⋯O...
-
Single crystal growth and physical properties of MCo2Al9 (M= Sr, Ba)
PublicationSingle crystals of SrCo2Al and BaCo2Al9 were grown using a self-flux method. A LeBail analysis of the powder X-ray diffraction patterns show that both compounds crystallize in a hexagonal (P6/mmm) crystal structure with lattice parameters: a = 7.8995(1) Å, c = 3.9159(1) Å for SrCo2Al9, and a = 7.9162(2) Å, c = 3.9702(1) Å for BaCo2Al9 aluminide. The low temperature analysis of the heat capacity measurements give a Sommerfeld...
-
Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
-
Large Hall and Nernst responses from thermally induced spin chirality in a spin-trimer ferromagnet
PublicationThe long-range order of noncoplanar magnetic textures with scalar spin chirality (SSC) can couple to conduction electrons to produce an additional (termed geometrical or topological) Hall effect. One such example is the Hall effect in the skyrmion lattice state with quantized SSC. An alternative route to attain a finite SSC is via the spin canting caused by thermal fluctuations in the vicinity of the ferromagnetic ordering transition....
-
Local material symmetry group for first- and second-order strain gradient fluids
PublicationUsing an unified approach based on the local material symmetry group introduced for general first- and second-order strain gradient elastic media, we analyze the constitutive equations of strain gradient fluids. For the strain gradient medium there exists a strain energy density dependent on first- and higher-order gradients of placement vector, whereas for fluids a strain energy depends on a current mass density and its gradients....
-
The LaPdIn 4 indide and elementary properties of the LaTIn 4 ( T = Ni, Pd, Pt) materials family
PublicationThe indium-rich intermetallic compound LaPdIn4 is reported, prepared by arc-melting and annealing at 600 C. Single crystal X-ray diffraction found the material to be orthorhombic, space group Cmcm (No. 63), with lattice parameters a ¼ 4.5462(3) Å, b ¼ 16.9208(10) Å, and c ¼ 7.3100(5) Å. This previously unreported indide is isostructural with LaNiIn4 and LaPtIn4. It is demonstrated that all three compounds in the LaTIn4 (T ¼ Ni,...
-
Superconductivity in the intermetallic compound Zr5Al4
PublicationPolycrystalline Zr5Al4 was synthesized using the arc-melting method. Powder X-ray diffraction confirms the previously reported crystal structure of the Ti5Ga4-type P63/mcm with lattice parameters: a = 8.4312(6) A , and c = 5.7752(8) A . Electrical resistivity and low-temperature magnetic susceptibility measurements indicate that Zr5Al4 exhibits superconducting behavior below 2 K. The normalized heat capacity jump at Tc= 1.82 K...
-
(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublicationThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
-
New σ-phases in the Nb–X–Ga and Nb–X–Al systems (X = Ru, Rh, Pd, Ir, Pt, and Au)
PublicationPreviously unreported σ-phases in the ternary niobium-based systems Nb–X–Ga for X = Ru, Rh, Pd, Ir, Pt, Au, and Nb–X–Al for X = Ir, and Pt are presented, prepared by arc-melting followed by annealing at 1000 °C for 1 week. The phases are primitive tetragonal (P42/mnm, no. 136) with lattice parameters of a = 9.8336(2)–9.9432(1) Å and c = 5.1098(1)–5.1718(1) Å. Refinements of the single crystal X-ray diffraction data for the Ru and...
-
Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublicationThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
-
Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...