Neutron powder diffraction study of the crystal and magnetic structures of Fe2SiS4

Baron, V.V.; Amcoff, Örjan; Ericsson, Tore

doi:10.1016/s0304-8853(98)01152-4

Cited by 15 publications

(11 citation statements)

References 7 publications

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“…Both FSS and FGS were prepared by Vincent et al [3] as a single crystal and reported to have orthorhombic symmetry with Pnma space group. Baron et al [4] provided neutron powder diffraction investigations of the structural and magnetic properties of Fe2SiS4.…”

Section: Introductionmentioning

confidence: 99%

Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations

et al. 2018

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Thio-olivines such as (Fe,Mn)2(Si,Ge)S4 have been proposed as candidate earthabundant materials for single and multi-junction solar cells. In this work we present the first investigation of Mn2SiS4thin films prepared by reactive magnetron sputtering deposition, using a composition grading approach. Precursor instability in ambient conditions is observed, revealing the oxidation/hydrolysis of Si-S bonds from the asdeposited film as a blocking mechanism for the ternary compound formation. Structural, morphological and optical properties of the annealed Mn2SiS4 films are reported for the first time. Resulting Mn2SiS4 films have orthorhombic Pnma structure and are polycrystalline. Raman active modes at 325 nm excitation are observed at 262, 320, 400 and 464 cm -1 . From room temperature photoluminescence at 532 nm excitation the band gap is estimated to be about 1.9 eV, but a high optical absorption coefficient of > 10 4 cm -1 was only obtained at E > 2.8 eV. First principles calculations are used for better understanding of opto-electronic properties. From the calculations, Mn2SiS4 is suggested to have a band gap of about 1.73 -1.86 eV depending on the magnetic configuration of Mn and slight indirect nature. The slow absorption onset is interpreted by strong anisotropy due to one of the components of the dielectric function.

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Section: Introductionmentioning

confidence: 99%

Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations

et al. 2018

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“…The arrangement of the atoms in the crystal is very closely packed and resembles hexagonal close packed arrangement. Among the olivine structures, F e based olivines are well known because of their diverse magnetic nature at low and high temperatures [2,3,4]. In the case of Fe 2 GeS 4 , it was found to possess weak ferromagnetic nature upto 69 K, anti-ferromagnetic nature between 69-143 K and above this temperature it is reported to be in paramagnetic nature [5].…”

Section: Introductionmentioning

confidence: 99%

Predicted thermoelectric properties of olivine-type Fe₂GeCh₄(Ch = S, Se and Te)

Gudelli

Kanchana

Vaitheeswaran

2015

J. Phys.: Condens. Matter

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Abstract. We present here the thermoelectric properties of olivine type Fe 2 GeCh 4 (Ch = S, Se and Te) using the linear augmented plane wave method based on first principles density functional calculations. The calculated transport properties using semi-local Boltzmann Transport equation reveal very high thermopower for both S and Se based compounds compared to Te counterpart. The reason for this high thermopower is mainly because of the quasi flat nature of the bands at the valence and conduction band edges. The calculated thermopower of Fe 2 GeS 4 is in good agreement with the experimental reports at room temperature with the carrier concentration around 10 18 − 10 19 cm −3 . All the investigated systems show anisotropic nature in their electrical conductivity resulting in a value lesser of the order of 10 2 along the a-axis compared to the b and c-axes. Among the studied compounds, Fe 2 GeS 4 and Fe 2 GeSe 4 emerge as promising candidates with good thermoelectric performance.

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“…antiferromagnetism, ferromagnetism, canted ferromagnetism, magnetic competition between magnetic neighbors leading to magnetic frustration, etc. [2,3]. Also, the presence of charge carries localized at the impurities can induce sizable magnetization in their vicinity or within the sphere of its effective Bohr orbit, i.e.…”

Section: Introductionmentioning

confidence: 99%

Magnetic properties for the Mn2GeTe4 compound

Quintero

Caldera

et al. 2009

Journal of Magnetism and Magnetic Materials

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Neutron powder diffraction study of the crystal and magnetic structures of Fe2SiS4

Cited by 15 publications

References 7 publications

Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations

Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations

Predicted thermoelectric properties of olivine-type Fe₂GeCh₄(Ch = S, Se and Te)

Magnetic properties for the Mn2GeTe4 compound

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Neutron powder diffraction study of the crystal and magnetic structures of Fe2SiS4

Cited by 15 publications

References 7 publications

Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations

Thio-olivine Mn2SiS4 thin films by reactive magnetron sputtering: Structural and optical properties with insights from first principles calculations

Predicted thermoelectric properties of olivine-type Fe2GeCh4(Ch = S, Se and Te)

Magnetic properties for the Mn2GeTe4 compound

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Predicted thermoelectric properties of olivine-type Fe₂GeCh₄(Ch = S, Se and Te)