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1.
Phys Chem Chem Phys ; 26(9): 7611-7617, 2024 Feb 28.
Artículo en Inglés | MEDLINE | ID: mdl-38363118

RESUMEN

The recently uncovered two-dimensional materials serve as versatile building blocks for electronic devices. In this study, we methodically investigate the impact of substrate-induced strain and exchange field effects on the electronic density of states (EDOS) and electronic heat capacity (EHC) of single-layer ß12-borophene. Utilizing the Green's function approach, we compute these functions. The van Hove singularities in EDOS are observed to shift with strain, and depending on the direction and strength of the exchange field, the number of singularities increases. All these responses can be attributed to the renormalization of the velocity of electronic bands. Additionally, the inherent Schottky anomaly (an unusual peak at low temperatures) in the EHC undergoes a notable shift to higher and lower temperatures and variations in the intensity of the EHC due to substrate effects.

2.
Phys Chem Chem Phys ; 26(27): 18983-18988, 2024 Jul 10.
Artículo en Inglés | MEDLINE | ID: mdl-38953345

RESUMEN

This study addresses the effect of electron-phonon coupling (EPC) on the electro-optical properties of gated ß12-borophene. The focus is on how EPC influences the orbital hybridization of boron atoms, particularly within the Barisic-Labbe-Friedel-Su-Schrieffer-Heeger framework, and considers the role of gate electrodes in this process. The results reveal a redshift in the optical spectrum only when there is positive feedback from one electrode on EPC. In other configurations, except for the y-direction, a blueshift spectrum is observed. The study emphasizes the importance of tuning these spectral shifts for maximizing the performance of solar cells in converting sunlight into usable energy.

3.
Phys Chem Chem Phys ; 26(15): 11825-11832, 2024 Apr 17.
Artículo en Inglés | MEDLINE | ID: mdl-38566602

RESUMEN

This study investigates the optical absorption of monolayer phosphorene, focusing on its response to the electron-phonon coupling (EPC) and an electric field. Using a tight-binding Hamiltonian model based on the Barisic-Labbe-Friedel-Su-Schrieffer-Heeger model and the Kubo formula, we calculate the electronic band structure and optical absorption characteristics. The anisotropic dispersion of carriers along armchair and zigzag directions leads to distinct optical responses. Positive and negative EPC effects increase and decrease hopping parameters, respectively, enlarging and reducing/closing the band gap. Moreover, both EPCs cause an admixture of blue and red shift spectrum along the armchair direction, while a red (blue) shift spectrum is observed for positive (negative) EPC along the zigzag direction. Incorporating electric field effects in the EPC increases band gaps for both positive and negative EPC activities, resulting in shifted optical peaks along both directions.

4.
Phys Chem Chem Phys ; 21(27): 15133-15141, 2019 Jul 10.
Artículo en Inglés | MEDLINE | ID: mdl-31243415

RESUMEN

In this paper, we have concentrated on the orbital and hybridization effects induced by applied triaxial strain on the interband optical conductivity (IOC) of phosphorene using a two-band Hamiltonian model, linear response theory and the Kubo formula. In particular, we study the dependence of the electronic band structure and of the IOC of a phosphorene single layer on the modulus and direction of the applied triaxial strain. The triaxial strain is included in a model through the introduction of strain-dependent hopping parameters using the Harrison rule. Among the various configurations for applying the triaxial strain, considerable findings are presented here in three classes: (i) uniform, (ii) in-plane uniform and (iii) non-uniform triaxial strain. The main consequence of applying triaxial strain is that of increasing and decreasing the band gap depending on the considered class of study, resulting in a blue shift and red shift of the interband optical transitions, respectively. Our results show that a pure blue shift independent of the strain modulus as well as strain sign (tensile or compressive) emerges when applying non-uniform triaxial strain. The overall feature of our outcomes is tailoring the edge-dependent optical responses of phosphorene in the presence of triaxial strain, which provides the required conditions of tuning the optical properties of phosphorene for future experimental research.

5.
Nanoscale Adv ; 6(3): 832-845, 2024 Jan 30.
Artículo en Inglés | MEDLINE | ID: mdl-38298586

RESUMEN

In this work, we report a detailed comparison of electron-acoustic-phonon (EAP) interaction strength in symmetric (parabolic) and asymmetric (semi-parabolic) quantum-wells (QWs) for both GaAs and GaN materials. The operator projection method will be utilized to calculate the acoustic-phonon-assisted cyclotron resonance (CR) absorption power. The EAP interaction strength is determined by measuring the full width at half maximum (FWHM) of the acoustic-phonon-assisted CR absorption peak based on the profile of the curve describing the dependence of the acoustic-phonon-assisted CR absorption power on the photon energy. The studied result reveals that the EAP interaction strengths in the symmetric and asymmetric QWs are functions of the electron temperature (ET), external magnetic field (EMF), and confined potential frequency (CPF). Namely, the larger the ET, the EMF, and the CPF, the stronger the EAP interaction strengths in the symmetric and asymmetric QWs are for both GaN and GaAs materials. More importantly, the obtained result demonstrates that under the influence of the structural (CPF) and external (ET and EMF) parameters, the EAP interaction strength in the symmetric QW is always much stronger than that in the asymmetric QW for both GaN and GaAs materials. Simultaneously, the EAP interaction strength in the GaN material is much stronger than that in the GaAs material for both the symmetric and asymmetric QWs.

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