The effect of replacing iron atoms instead of zinc of the quaternary compound CZTS

In this article, the quaternary compound Cu2MSnS4 was prepared in a simple and inexpensive approach, where M is the iron (Fe) and zinc (Zn) atoms by the spin coating method on a glass substrate at room temperature (RT), as a result of replacing Zn atoms by Fe. Quaternary Cu2ZnSnS4 (CZTS) and Cu2FeSrS4 (CFTS) structural and optical properties have been studied successfully. The material has been identified by X-ray diffraction, and it was discovered that CZTS has a polycrystalline Tetragonal (kesterite) structure, whereas CFTS has a Tetragonal (stannite) structure. A reduction in the full width half maximum (FWHM) of the preferred plane implies a high degree of crystallization. The structural properties of the film surface, such as grain size and roughness, were studied by Atomic force microscopy (AFM). The results explain an increase in nanoparticle size and surface roughness when Fe is substituted by Zn in the CZTS structure. The absorption coefficient values of all designed compounds in visible regions are greater than 104/cm, and the results show that the absorbance coefficient increases with Fe add. The CZTS films showed an energy gap of 1.88 eV, and this value became 1.69 eV with substituted Fe instead of Zn.

Direct H-He chemical association in superionic FeO2H2He at Deep-Earth conditions

Hydrogen and helium were known to play crucial roles in geological and astrophysical environments; however, they are inert toward each other across wide pressure-temperature (P-T). Given their prominent presence and influence on the formation and evolution of celestial bodies, it is of fundamental interest to explore the nature of interactions between hydrogen and helium. Using an advanced crystal structure search method, we have identified a quaternary compound FeO2H2He stabilized in a wide range of P-T conditions. Ab initio molecular dynamics simulations further reveal a novel superionic state of FeO2H2He hosting liquid-like diffusive hydrogen in the FeO2He sublattice, creating a conducive environment for H-He chemical association, at P-T conditions corresponding to the Earth's lowest mantle regions. This surprising chemically facilitated coalescence of otherwise immiscible molecular species highlights a promising avenue for exploring this long-sought but hitherto unattainable state of matter. This finding raises strong prospects for exotic H-He mixtures inside Earth and possibly also in other astronomical bodies.

Phase relationships in the Fe-rich region of the Ce–Nd–B–Fe quaternary system at 773 K

The Fe-rich corner of the Ce–Nd–B–Fe quaternary system at 773 K has been experimentally investigated by means of X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray spectroscopy techniques. No quaternary compound was observed in this system. Ce2Fe14B and Nd2Fe14B were found to form the continuous solid solution (Ce,Nd)2Fe14B. Ce-Fe4B4 and NdFe4B4 also form the solid solution (Ce,Nd)-Fe4B4. The isothermal section consists of 8 three-phase regions and 2 four-phase regions.

Co-precipitation Synthesis with a Variation of the Sulphur Composition of Kesterite Phase Cu2ZnSnS4 (CZSS) without Annealing Process

Commercially available compound CuInGa (S, Se) can be replaced with emerging quaternary compound Cu2ZnSnS4 (Copper Zinc Tin Sulphur or CZSS) for photovoltaic applications due to the high absorption coefficient and optimum bandgap. Unstable sulphur and the co-existence of binary and ternary phases in CZSS are the main obstacles for a single-phase kesterite quaternary compound. To overcome these issues, the researchers are synthesising the CZSS in presence of sulphur and selenium environment. The sulphurization and selenization are the constraints for the synthesis of CZSS and these processes make it costlier. In the present work, the wet-chemical method (i.e., co-precipitation method) was used to synthesise CZSS without vacuum annealing where the sulphur constituent was controlled by changing the stoichiometric ratio. X-ray diffraction (XRD) and Raman analysis confirm that the synthesised CZSS was in polycrystalline and single-phase kesterite nature. The average crystallite sizes for thiourea 16, 18, 20 mmol were found 15 nm, 17 nm and 17 nm, respectively. Surface morphology of the as-prepared film was identified by scanning electron microscope (SEM) and optical bandgap of the film was obtained ~1.33 eV by UV-visible (UV-vis) analysis. The 18 mmol of thiourea with stoichiometric ratio 4:2:2:9 is found the best optimisation for synthesising the CZSS without vacuum annealing by the co-precipitation method. Thus, the thin film of such synthesised CZSS may be employed for the low-cost photovoltaic application.

Tunable Planar Hall Effect in (Ga,Mn)(Bi,As) Epitaxial Layers

We have thoroughly investigated the planar Hall effect (PHE) in the epitaxial layers of the quaternary compound (Ga,Mn)(Bi,As). The addition of a small amount of heavy Bi atoms to the prototype dilute ferromagnetic semiconductor (Ga,Mn)As enhances significantly the spin–orbit coupling strength in its valence band, which essentially modifies certain magnetoelectric properties of the material. Our investigations demonstrate that an addition of just 1% Bi atomic fraction, substituting As atoms in the (Ga,Mn)As crystal lattice, causes an increase in the PHE magnitude by a factor of 2.5. Moreover, Bi incorporation into the layers strongly enhances their coercive fields and uniaxial magneto-crystalline anisotropy between the in-plane ⟨110⟩ crystallographic directions in the layers grown under a compressive misfit strain. The displayed two-state behaviour of the PHE resistivity at zero magnetic field, which may be tuned by the control of applied field orientation, could be useful for application in spintronic devices, such as nonvolatile memory elements.

THE QUATERNARY CHALCOGENIDE COMPOUND Ag2FeGeSe4: A REVISION OF THEIR CRYSTAL STRUCTURE AND MAGNETIC PROPERTIES

Background: Quaternary compounds bellowing to the I2-II-IV-VI4 system are of considerable technological interest due to their possible use in the preparation of solar cell and thermoelectric materials devices. In recent years, considerable attention has been focused on the detailed study of quaternary chalcogenide compounds related to the chalcopyrite compounds, particularly AgInSe2, which has emerged as a leading material for the preparation of photovoltaic devices due to their potential applications in solar cell technology. Aims: This work focuses on synthesis, chemical analysis, thermal study, magnetism measurement, and crystal structural characterization of the quaternary semiconductor Ag2FeGeSe4, an essential member of the family I2-II-IV-VI4. Methods: This material was synthesized by the melt and anneal technique. The chemical analysis was carried out by scanning electron microscopy (SEM) and differential thermal analysis (DTA). Magnetic susceptibility () as a function of temperature and magnetization as a function of the magnetic field were also performed, and crystal structure analysis was made employing the Rietveld method with powder X-ray diffraction data. Results and Discussion: The preparation confirms the formation of the quaternary compound with stoichiometric 2:1:1:4 according to the chemical analysis. This quaternary compound melt at 1015 K, and show an antiferromagnetic behavior with Neel temperature TN of 240 K. The Debye temperature (D) estimated for this compound was 194 K. The quaternary chalcogenide compound Ag2FeGeSe4 crystallizes in the orthorhombic space group Pmn21, Z = 4, with unit cell parameters: a = 7.6478(1) Å, b = 6.5071(1) Å, c = 6.4260(1) Å, and V = 319.79(1) Å3, in a wurtzite-stannite arrangement with a Cu2CdGeS4-type structure, which is characterized by a three-dimensional arrangement of slightly distorted AgSe4, FeSe4, and GeSe4 tetrahedra connected by corners. In this structure, each Se atom is coordinated by four cations located at the corners of a slightly distorted tetrahedron, and each cation is tetrahedrally bonded to four anions. Conclusions: The melt and anneal method remains effective for preparing compounds chalcogenides as the quaternary Ag2FeGeSe4, a new member of I2-II-IV-VI4 family of semiconductors, which crystallizes in the non-centrosymmetric space group Pmn21 with diamond-like structure. The crystal structure information of this compound allows explaining their magnetic properties, which in combination with its semiconductor properties make this material a potential aspirant for different applications, mainly in solar cells.

Crystal structure and powder X-ray diffraction data of the super-paramagnetic compound CuFeInTe3

The crystal structure of the new CuFeInTe3 quaternary compound was studied by the Rietveld method from powder X-ray diffraction data. The CuFeInTe3 compound crystallize in the tetragonal CuFeInSe3-type structure with space group P2c (Nº 112), and unit cell parameters a = 6.1842(1) Å, c = 12.4163(2) Å, V = 474.85(1) Å3. The density of CuFeInTe3 is rx = 5.753 g cm−3. The reliability factors of the Rietveld refinement results are Rp= 5.5%, Rwp= 6.1%, Rexp= 4.7%, and S= 1.3. The powder XRD data of CuFeInTe3 are presented and the figures of merit of indexation are M20 = 79.4 and F30 = 43.3 (0.0045, 154).