A hybrid-exchange density functional study of the bonding and electronic structure in bulk CuFeS2-Reference-Cited by-同舟云学术

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A hybrid-exchange density functional study of the bonding and electronic structure in bulk CuFeS2

Published:2016-05-14 Issue:18 Volume:144 Page:184702
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Martínez-Casado Ruth¹,Chen Vincent H.-Y.²,Mallia Giuseppe³,Harrison Nicholas M.³^ORCID

Affiliation:

1. Departamento de Fisica Teórica de la Materia Condensada, Universidad Autónoma de Madrid, ES-28049 Madrid, Spain

2. Department of Physics, Imperial College London, South Kensington, London SW7 2AZ, United Kingdom

3. Thomas Young Centre, Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ, United Kingdom

Funder

Rio Tinto plc

Engineering and Physical Sciences Research Council (EPSRC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4947080

Reference50 articles.

1. Progress in chalcopyrite compound semiconductor research for photovoltaic applications and transfer of results into actual solar cell production

2. Phénomènes de transport atomique dans les alliages liquides indium-plomb

3. Junction electroluminescence in CuInSe2

4. Photoelectrical properties of n-type CdSnP2-p-type Cu2S heterojunction

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1. Atomically Resolved Scanning Tunneling Microscopy of Cleaved Chalcopyrite Surface;MATERIALS TRANSACTIONS;2023-12-01

2. A computational study of ZnFeX2 (X = S, Se, Te) Nano-clusters having photovoltaic applications;Materials Science in Semiconductor Processing;2023-09

3. Tin-Substituted Chalcopyrite: An n-Type Sulfide with Enhanced Thermoelectric Performance;Chemistry of Materials;2022-06-25

4. Comparison study of crystal and electronic structures for chalcopyrite (CuFeS2) and pyrite (FeS2);Physicochemical Problems of Mineral Processing;2020-10-29

5. New insights into the luminescence properties of a Na stabilized Ga–Ti oxide homologous series;Journal of Materials Chemistry C;2020

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