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A theoretical study of the Pnma and R 3̄ m phases of Sb 2 S 3 , Bi 2 S 3 , and Sb 2 Se 3

Year: 2022
Type: article
Abstract: We report a comparative theoretical study of the Pnma and R 3̄ m phases of Sb 2 S 3 , Bi 2 S 3 , and Sb 2 Se 3 close to ambient pressure and show that both phases of Sb 2 S 3 may coexist up to moderate applied pressures.
DOI: 10.1039/d2tc01484j
Authors: E. Lora da Silva, J. M. Skelton, P. Rodríguez-Hernández, A. Muñoz, M. C. Santos, D. Martínez-García, R. Vilaplana, F. J. Manjón
Institutions: Universidade do Porto, Instituto de Física de Materiais Avançados, Nanotecnologia e Fotónica, University of Manchester, Universidad de La Laguna, Universitat Politècnica de València, Universitat de València
Language: English
Open Access status: hybrid
Funders: UK Research and Innovation, University of Manchester, European Commission, Ministerio de Economía y Competitividad, Generalitat Valenciana, Universidad de Oviedo, Barcelona Supercomputing Center, Fundação para a Ciência e a Tecnologia, Agencia Estatal de Investigación, HORIZON EUROPE Marie Sklodowska-Curie Actions
Awards: G1175115578, G1195709751, G1422035950, G169227156, G210041235, G2257069175, G2262748287, G2601397997, G2891096901, G300979063, G3082818585, G308504231, G3173957272, G3220251042, G34346518, G3480869486, G3565621276, G3681454997, G3857581125, G396237826, G4042783231, G4234137115, G425668148, G4316116677, G434337789, G4442677895, G450822820, G4526231891, G5080475149, G5195188938, G5385376234, G57292525, G6115201310, G6930660739, G7084143925, G7504930410, COmputational Modelling for EXtreme conditions, G792975244, G8684520763, G8759124303
OpenAlex ID: W4297897121
FWCI: 0.533
Cites: 89
Cited by: 13
Related to: 10