Strain-induced modulation of electronic, optical, and transport properties in PtX2 (X=S, Se) monolayers

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorJorge Basadre Grohmann National University-
Autor(es): dc.contributorRio Grande do Sul-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.creatorGonzalo, Fredy Mamani-
Autor(es): dc.creatorRivera, Victor José Ramirez-
Autor(es): dc.creatorPiotrowski, Maurício Jeomar-
Autor(es): dc.creatorLaura, Gohnny Acero-
Autor(es): dc.creatorSimoes, A. Z.-
Autor(es): dc.creatorFlores, Efracio Mamani-
Data de aceite: dc.date.accessioned2025-08-21T18:00:10Z-
Data de disponibilização: dc.date.available2025-08-21T18:00:10Z-
Data de envio: dc.date.issued2025-04-29-
Data de envio: dc.date.issued2025-07-15-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.physb.2025.417191-
Fonte completa do material: dc.identifierhttps://hdl.handle.net/11449/297701-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/297701-
Descrição: dc.descriptionWe investigate the structural, electronic, optical, and transport properties of PtS2 and PtSe2 monolayers under biaxial strain. Both materials exhibit a transition to a quasi-direct bandgap, with PtS2 and PtSe2 showing quasi-direct bandgaps of 0.78 eV (PBE) and 1.22 eV (HSE06), and 1.10 eV (PBE) and 1.73 eV (HSE06), respectively. Optically, PtS2 demonstrates a strong absorption coefficient of 81.42 × 104 cm−1 at ɛ = −8%. In terms of thermal properties, the lattice thermal conductivity (κl) decreases under tensile strains, reaching 4.13 W m−1 K−1 at +8% for PtS2, while PtSe2 shows a minimum value of 2.61 W m−1 K−1 at +8% strain at 800 K. These results highlight the tunable electronic, optical, and thermal properties of PtS2 and PtSe2, positioning them as promising candidates for optoelectronic and thermoelectric applications-
Descrição: dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
Descrição: dc.descriptionDepartment of Physics Jorge Basadre Grohmann National University-
Descrição: dc.descriptionEnergy and Materials Research Group (GEM) Jorge Basadre Grohmann National University-
Descrição: dc.descriptionDepartment of Physics Federal University of Pelotas Pelotas Rio Grande do Sul-
Descrição: dc.descriptionSchool of Engineering and Sciences São Paulo State University – UNESP, Guaratinguetá-
Descrição: dc.descriptionSchool of Engineering and Sciences São Paulo State University – UNESP, Guaratinguetá-
Descrição: dc.descriptionCNPq: 307345/2021-1-
Descrição: dc.descriptionCNPq: 444431/2024-1-
Idioma: dc.languageen-
Relação: dc.relationPhysica B: Condensed Matter-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectBiaxial strain-
Palavras-chave: dc.subjectDFT-
Palavras-chave: dc.subjectMonolayer-
Palavras-chave: dc.subjectOptical properties-
Palavras-chave: dc.subjectPhonon transport-
Título: dc.titleStrain-induced modulation of electronic, optical, and transport properties in PtX2 (X=S, Se) monolayers-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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