Composition, Structure, and Thermal Expansion of Ca3Fe4S3O6and CaFeSO

CaOFeS is a semiconducting oxysulfide with polar layered triangular structure. Here a comprehensive theoretical study has been performed to reveal its physical properties, including magnetism, electronic structure, phase transition, magnetodielectric effect, as well as optical absorption. Our calculations confirm the Ising-like G-type antiferromagnetic ground state driven by the next-nearest neighbor exchanges, which breaks the trigonal symmetry and is responsible for the magnetodielectric effect driven by exchange striction. In addition, a large coefficient of visible light absorption is predicted, which leads to promising photovoltaic effect with the maximum light-to-electricity energy conversion efficiency up to 24.2%.

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“…For example, CaOM S (M =Fe, Zn) forms layered triangular lattice [10][11][12][13]. As sketched in Fig.…”

Section: Introductionmentioning

confidence: 99%

Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS

Zhang

Lin

Zhang

et al. 2017

Phys. Rev. Materials

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“…More recently, lanthanide-free quaternary oxysulfide compounds CaMOS [M = Fe (Selivanov et al, 2004;Delacotte et al, 2015), Co (Pitha et al, 1947), Zn (McCullough et al, 1948] and BaM'OS [with M' = Co (Pitha et al, 1947;Valldor et al, 2015), Zn (Broadley et al, 2005)] were synthesized and characterized. This shows the growing interest in obtaining metal oxysulfides without rare earth (which are strategic resources) in order to explore their magnetic and catalytic properties.…”

Section: Quaternary Oxysulfides: a Large Catalog Of Compositionsmentioning

confidence: 99%

Metal Oxysulfides: From Bulk Compounds to Nanomaterials

Larquet

Carenco

2020

Front. Chem.

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This review summarizes the syntheses and applications of metal oxysulfides. Bulk compounds of rare earth and transition metals are discussed in the section Introduction. After a presentation of their main properties and applications, their structures are presented and their syntheses are discussed. The section Bulk Materials and Their Main Applications is dedicated to the growing field of nanoscaled metal oxysulfides. Synthesis and applications of lanthanide-based nanoparticles are more mature and are discussed first. Then, works on transition-metal based nanoparticles are presented and discussed. Altogether, this review highlights the opportunities offered by metal oxysulfides for application in a range of technological fields, in relation with the most advanced synthetic routes and characterization techniques.

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“…The composition, structure, and stability fields of Ca, Fe 2+ , Fe 3+ , Zn, Cu, and Ni oxysulfides have been well documented because they are key intermediates in industrial carbothermal metal reduction and/or reduction-calcination reactions in metal-sulfur-calcium-oxygen (M-S-Ca-O) systems. A complete set of phases at the intermediate reduction stage of complex Zn, Cu, and Ni sulfide ores includes metals; Fe-Ni alloys; ferrites and aluminate-ferrites of Ca, CaO, or CaS; as well as Ca and Fe oxysulfides with different stoichiometry [97][98][99][100][101][102][103][104]. The industrial process is performed under ambient pressure and 900 to 1250 • C, in the presence of carbon (C 0 ), CaO/CaCO 3 , and/or CaSO 4 .…”

Section: Marbles: Te Signatures In Sediments and Redox Conditions Of Their Annealingmentioning

confidence: 99%

“…The redox conditions of the process, which is controlled by partial gas pressure of H 2 S/SO 2 and CO/CO 2 (commonly expressed as SO 2 or CO gas potential or fugacity), provides selective oxidation of Fe +2 to Fe +3 . Iron interacting with CaO binds into oxide (mainly Ca ferrites) and oxysulfide phases and thus becomes separated from the reduced forms of Zn, Cu, and Ni occurring as sulfide or metal phases [97][98][99][100][101][102].…”

Section: Marbles: Te Signatures In Sediments and Redox Conditions Of Their Annealingmentioning

confidence: 99%

Ultrahigh-Temperature Sphalerite from Zn-Cd-Se-Rich Combustion Metamorphic Marbles, Daba Complex, Central Jordan: Paragenesis, Chemistry, and Structure

et al. 2020

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Minerals of the Zn-Cd-S-Se system that formed by moderately reduced ~800–850 °C combustion metamorphic (CM) alteration of marly sediments were found in marbles from central Jordan. Their precursor sediments contain Se- and Ni-enriched authigenic pyrite and ZnS modifications with high Cd enrichment (up to ~10 wt%) and elevated concentrations of Cu, Sb, Ag, Mo, and Pb. The marbles are composed of calcite, carbonate-fluorapatite, spurrite, and brownmillerite and characterized by high P, Zn, Cd, U, and elevated Se, Ni, V, and Mo contents. Main accessories are either Zn-bearing oxides or sphalerite, greenockite, and Ca-Fe-Ni-Cu-O-S-Se oxychalcogenides. CM alteration lead to compositional homogenization of metamorphic sphalerite, for which trace-element suites become less diverse than in the authigenic ZnS. The CM sphalerites contain up to ~14 wt% Cd and ~6.7 wt% Se but are poor in Fe (means 1.4–2.2 wt%), and bear 100–250 ppm Co, Ni, and Hg. Sphalerite (Zn,Cd,Fe)(S,O,Se)cub is a homogeneous solid solution with a unit cell smaller than in ZnScub as a result of S2− → O2− substitution (a = 5.40852(12) Å, V = 158.211(6) Å3). The amount of lattice-bound oxygen in the CM sphalerite is within the range for synthetic ZnS1−xOx crystals (0 < x ≤ 0.05) growing at 900 °C.

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Composition, Structure, and Thermal Expansion of Ca₃Fe₄S₃O₆and CaFeSO

Cited by 26 publications

References 4 publications

Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS

Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS

Metal Oxysulfides: From Bulk Compounds to Nanomaterials

Ultrahigh-Temperature Sphalerite from Zn-Cd-Se-Rich Combustion Metamorphic Marbles, Daba Complex, Central Jordan: Paragenesis, Chemistry, and Structure

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