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| DOI | 10.1039/D4CP04573D | ||||
| Año | 2025 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
We explore quantum-thermodynamic effects in a phosphorous (P)-doped graphene monolayer subjected to biaxial tensile strain. Introducing substitutional P atoms in the graphene lattice generates a tunable spin magnetic moment controlled by the strain control parameter epsilon. This leads to a magnetic quantum phase transition (MQPT) at zero temperature modulated by epsilon. The system transitions from a magnetic phase, characterized by an out-of-plane sp3 type hybridization of the P-carbon (P-C) bonds, to a non-magnetic phase when these bonds switch to in-plane sp2 hybridization. Employing a Fermi-Dirac statistical model, we calculate key thermodynamic quantities such as the electronic entropy Se and electronic specific heat Ce. At finite temperatures, we find a MQPT extension characterized by Se and Ce, where both display a distinctive Lambda-shape profile as a function of epsilon. These thermodynamic quantities sharply increase up to epsilon = 5% in the magnetic regime, followed by a sudden drop at epsilon = 5.5%, transitioning to a linear dependence on epsilon in the nonmagnetic regime. This controllable magnetic-to-nonmagnetic switch offers potential applications in electronic nanodevices operating at finite temperatures.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Cortes, Natalia | - |
Universidad de Tarapacá - Chile
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| 2 | Hernandez-Tecorralco, J. | - |
Univ Nacl Autonoma Mexico - México
Universidad Nacional Autónoma de México - México |
| 3 | Meza-Montes, L. | - |
Benemerita Univ Autonoma Puebla - México
Benemérita Universidad Autónoma de Puebla - México |
| 4 | de Coss, R. | - |
Ctr Invest & Estudios Avanzados IPN - México
Univ Autonoma Chiapas - México CINVESTAV Unidad Merida - México Universidad Autónoma de Chiapas - México |
| 5 | Vargas, Patricio | - |
Universidad Técnica Federico Santa María - Chile
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| Fuente |
|---|
| FONDECYT |
| CONACYT |
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Universidad Técnica Federico Santa María |
| Laboratorio Nacional de Supercomputo del Sureste de Mexico |
| CONAHCyT-México |
| Consejo Nacional de Humanidades, Ciencias y Tecnologías |
| Laboratorio Nacional de Supercomputo del Sureste de Mexico (LNS) |
| Universidad Federico Santa Maria, Valparaiso, Chile |
| ANID Iniciacion en Investigacion Fondecyt |
| DGII-UTA |
| Agradecimiento |
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| N. C. acknowledges support from ANID Iniciacion en Investigacion Fondecyt Grant No. 11221088 and DGII-UTA, and the hospitality of Universidad Federico Santa Maria, Valparaiso, Chile. J. H.-T. acknowledges a postdoctoral fellowship from CONAHCyT-Mexico. The authors thankfully acknowledge the computer resources, technical expertise, and support provided by the Laboratorio Nacional de Supercomputo del Sureste de Mexico (LNS), a member of the CONACYT national laboratories, with project no. 202303063N. One of the authors (R. de Coss) is grateful for the hospitality of the Mesoamerican Centre for Theoretical Physics (MCTP), where part of this work was developed during a research visit. P. V. wishes to thank the Fondecyt grant project No. 1240582. |
| N. C. acknowledges support from ANID Iniciaci\u00F3n en Investigaci\u00F3n Fondecyt Grant No. 11221088 and DGII-UTA, and the hospitality of Universidad Federico Santa Mar\u00EDa, Valpara\u00EDso, Chile. J. H.-T. acknowledges a postdoctoral fellowship from CONAHCyT-M\u00E9xico. The authors thankfully acknowledge the computer resources, technical expertise, and support provided by the Laboratorio Nacional de Superc\u00F3mputo del Sureste de M\u00E9xico (LNS), a member of the CONACYT national laboratories, with project no. 202303063N. One of the authors (R. de Coss) is grateful for the hospitality of the Mesoamerican Centre for Theoretical Physics (MCTP), where part of this work was developed during a research visit. P. V. wishes to thank the Fondecyt grant project No. 1240582. |