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Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution

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Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution. / Chen, Kan; Di Paola, Cono; Laricchia, Savio; Reece, Michael J.; Weber, Cedric; McCabe, Emma; Abrahams, Isaac; Bonini, Nicola.

In: Journal of Materials Chemistry C, Vol. 8, No. 33, 07.09.2020, p. 11508-11516.

Research output: Contribution to journalArticle

Harvard

Chen, K, Di Paola, C, Laricchia, S, Reece, MJ, Weber, C, McCabe, E, Abrahams, I & Bonini, N 2020, 'Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution', Journal of Materials Chemistry C, vol. 8, no. 33, pp. 11508-11516. https://doi.org/10.1039/d0tc01804j

APA

Chen, K., Di Paola, C., Laricchia, S., Reece, M. J., Weber, C., McCabe, E., Abrahams, I., & Bonini, N. (2020). Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution. Journal of Materials Chemistry C, 8(33), 11508-11516. https://doi.org/10.1039/d0tc01804j

Vancouver

Chen K, Di Paola C, Laricchia S, Reece MJ, Weber C, McCabe E et al. Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution. Journal of Materials Chemistry C. 2020 Sep 7;8(33):11508-11516. https://doi.org/10.1039/d0tc01804j

Author

Chen, Kan ; Di Paola, Cono ; Laricchia, Savio ; Reece, Michael J. ; Weber, Cedric ; McCabe, Emma ; Abrahams, Isaac ; Bonini, Nicola. / Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution. In: Journal of Materials Chemistry C. 2020 ; Vol. 8, No. 33. pp. 11508-11516.

Bibtex Download

@article{78ad47ca443b452e88d05855d723477e,
title = "Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution",
abstract = "Cu3Sb1-xSnxS4 samples with 0.0 ≤ x ≤ 1.0 were synthesized from pure elements by mechanical alloying combined with spark plasma sintering. The structural and electronic properties of these compounds were characterized by powder X-ray and neutron diffraction, X-ray photoelectron spectroscopy (XPS), magnetic susceptibility and electrical and thermal transport measurements, and the experimental results compared against those calculated from hybrid density functional theory. A full solid solution is found between famatinite (Cu3SbS4) and kuramite (Cu3SnS4), with low x-value compositions in the Cu3Sb1-xSnxS4 system exhibiting the ordered famatinite structure and compositions above x = 0.7 showing progressive disorder on the cation sublattice. The semiconducting behaviour of Cu3SbS4 becomes increasingly more metallic and paramagnetic with increasing Sn content as holes are introduced into the system. Neutron diffraction data confirm that the sulfur stoichiometry is maintained, while XPS results show Cu remains in the monovalent oxidation state throughout, suggesting that hole carriers are delocalized in the metallic band structure. The order-disorder transition is discussed in terms of the defect chemistry and the propensity towards disorder in these compounds. This journal is ",
author = "Kan Chen and {Di Paola}, Cono and Savio Laricchia and Reece, {Michael J.} and Cedric Weber and Emma McCabe and Isaac Abrahams and Nicola Bonini",
year = "2020",
month = sep,
day = "7",
doi = "10.1039/d0tc01804j",
language = "English",
volume = "8",
pages = "11508--11516",
journal = "Journal of Materials Chemistry C",
issn = "2050-7526",
publisher = "Royal Society of Chemistry",
number = "33",

}

RIS (suitable for import to EndNote) Download

TY - JOUR

T1 - Structural and electronic evolution in the Cu3SbS4-Cu3SnS4solid solution

AU - Chen, Kan

AU - Di Paola, Cono

AU - Laricchia, Savio

AU - Reece, Michael J.

AU - Weber, Cedric

AU - McCabe, Emma

AU - Abrahams, Isaac

AU - Bonini, Nicola

PY - 2020/9/7

Y1 - 2020/9/7

N2 - Cu3Sb1-xSnxS4 samples with 0.0 ≤ x ≤ 1.0 were synthesized from pure elements by mechanical alloying combined with spark plasma sintering. The structural and electronic properties of these compounds were characterized by powder X-ray and neutron diffraction, X-ray photoelectron spectroscopy (XPS), magnetic susceptibility and electrical and thermal transport measurements, and the experimental results compared against those calculated from hybrid density functional theory. A full solid solution is found between famatinite (Cu3SbS4) and kuramite (Cu3SnS4), with low x-value compositions in the Cu3Sb1-xSnxS4 system exhibiting the ordered famatinite structure and compositions above x = 0.7 showing progressive disorder on the cation sublattice. The semiconducting behaviour of Cu3SbS4 becomes increasingly more metallic and paramagnetic with increasing Sn content as holes are introduced into the system. Neutron diffraction data confirm that the sulfur stoichiometry is maintained, while XPS results show Cu remains in the monovalent oxidation state throughout, suggesting that hole carriers are delocalized in the metallic band structure. The order-disorder transition is discussed in terms of the defect chemistry and the propensity towards disorder in these compounds. This journal is

AB - Cu3Sb1-xSnxS4 samples with 0.0 ≤ x ≤ 1.0 were synthesized from pure elements by mechanical alloying combined with spark plasma sintering. The structural and electronic properties of these compounds were characterized by powder X-ray and neutron diffraction, X-ray photoelectron spectroscopy (XPS), magnetic susceptibility and electrical and thermal transport measurements, and the experimental results compared against those calculated from hybrid density functional theory. A full solid solution is found between famatinite (Cu3SbS4) and kuramite (Cu3SnS4), with low x-value compositions in the Cu3Sb1-xSnxS4 system exhibiting the ordered famatinite structure and compositions above x = 0.7 showing progressive disorder on the cation sublattice. The semiconducting behaviour of Cu3SbS4 becomes increasingly more metallic and paramagnetic with increasing Sn content as holes are introduced into the system. Neutron diffraction data confirm that the sulfur stoichiometry is maintained, while XPS results show Cu remains in the monovalent oxidation state throughout, suggesting that hole carriers are delocalized in the metallic band structure. The order-disorder transition is discussed in terms of the defect chemistry and the propensity towards disorder in these compounds. This journal is

UR - http://www.scopus.com/inward/record.url?scp=85090563049&partnerID=8YFLogxK

U2 - 10.1039/d0tc01804j

DO - 10.1039/d0tc01804j

M3 - Article

AN - SCOPUS:85090563049

VL - 8

SP - 11508

EP - 11516

JO - Journal of Materials Chemistry C

JF - Journal of Materials Chemistry C

SN - 2050-7526

IS - 33

ER -

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