Ballistic transport and thermoelectric effect in gated phosphorene superlattices including Fibonacci-type aperiodicity
Por:
Guzmán E.J., Oubram O., Navarro O., Rodríguez-Vargas I.
Publicada:
1 ene 2026
Resumen:
© 2025 Elsevier B.V.We theoretically study the thermoelectric effect in phosphorene nano-sheet when the ballistic transport is modulated by gated superlattices. The gating profile consists of electrostatic barriers arranged in periodic and aperiodic Fibonacci-type sequences along the armchair direction of phosphorene. We have calculated the transmission probability and conductance by using the transfer matrix method and Landauer-Büttiker formalism, respectively. We find that the transmission miniband structure of periodic superlattices is greatly fragmented and reduced by introduction of Fibonacci-type aperiodicity. Moreover, the conductance of Fibonacci-type supelattices shows a more pronounced oscillatory trend in contrast to periodic superlattices. Such significant changes in the conductance result in enhanced thermoelectric properties at low temperatures. We find peaks of Seebeck coefficient (S) in orders of 0.1-0.35 mV/K, with the highest peaks observed in aperiodic superlattices. Also, we obtain high values of figure of merit (ZT) in the range of 0.5-3 and 2-10 for the periodic and aperiodic superlattices, respectively. Furthermore, we find extreme values of S (>1 mV/K) and ZT (>10) at energies very close to the bandgap in both (valence and conduction) bands. By analyzing the ratio of thermal and electronic conductances, we can identify the regions with optimized thermoelectric response. At 300 K, the thermoelectric response is considerably reduced (ZT˜0.12) due to the thermal contribution of phonons. Our findings indicate that gated phosphorene superlattices could be the basis for high conversion efficiency thermoelectric devices.
Filiaciones:
Guzmán E.J.:
Unidad Morelia del Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de Mexico, Antigua Carretera a Pátzcuaro No. 8701, Col. Ex Hacienda de San José de la Huerta, Morelia, 58190, Michoacán, Mexico
Oubram O.:
Facultad de Ciencias Químicas e Ingeniería, Universidad Autónoma Del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, Cuernavaca, 62209, Morelos, Mexico
Navarro O.:
Unidad Morelia del Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de Mexico, Antigua Carretera a Pátzcuaro No. 8701, Col. Ex Hacienda de San José de la Huerta, Morelia, 58190, Michoacán, Mexico
Rodríguez-Vargas I.:
Unidad Académica de Ciencia y Tecnología de la Luz y la Materia, Universidad Auténoma de Zacatecas, Circuito Marie Curie S/N, Parque de Ciencia y Tecnología QUANTUM Ciudad del Conocimiento, Zacatecas, 98160, Zacatecas, Mexico
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