Extrinsic spin-orbit coupling and spin relaxation in phosphorene

Using first-principles calculations, we have studied the band-gap modulation as function of applied strain in black phosphorene (BP). Dynamical stability has been assessed as well. Three cases have been considered, in the first and second, the strain was applied uniaxially, in the x- and y-axis, separately. In the third, an isotropic in-plane strain was analyzed. Different strain percentages have been considered, ranging from 4% to 20%. The evolution of the band-gap is studied by using standard DFT and the G0W0 approach. The band-gap increases for small strains but then decreases for higher strains. A change in electronic behavior also takes place: the strained systems change from direct to indirect band-gap semiconductor, which is explained in terms of the s and p-orbitals overlap. Our study shows that BP is a system with a broad range of applications: in band-gap engineering, or as part of van der Waals heterostructures with materials of larger lattice parameters. Its stability, and direct band-gap behavior are not affected for less than 16% of uniaxial and biaxial strain. Our findings show that phosphorene could be deposited in a large number of substrates without losing its semiconductor behavior.

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“…This work 0.14 1.23 −0.13 5.36 [44] 0.17 1.26 −0.16 5.50 [45] 0.16 1.13 -- [46] 0.15 1.24 −0.14 5.92…”

Section: Effective Mass Calculationsunclassified

First-principles studies of the strain-induced band-gap tuning in black phosphorene

Hernández

Sánchez

Fernández-Escamilla

et al. 2021

J. Phys.: Condens. Matter

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“…However, since the spin-orbit coupling is expected to be quite small in this system 42 , the sidejump contribution is also unlikely to dominate the large AHE. Moreover, these contributions are expected to scale with M, which is incompatible with the unconventional M dependence that turns on at M ~ MC.…”

mentioning

confidence: 94%

Magnetic Generation and Switching of Topological Quantum Phases in a Trivial Semimetal α−EuP3

et al. 2022

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Topological materials have drawn increasing attention owing to their rich quantum properties. A notable highlight is the observation of a large intrinsic anomalous Hall effect (AHE) in Weyl and nodal-line semimetals. However, how the electronic topology of the carriers contributes to the transport and whether it can be externally tuned remains elusive. In this study, we demonstrate a magnetic-field-induced switching of band topology in α-EuP3, a magnetic semimetal with a layered crystal structure derived from black phosphorus. Such topology switching is shown to be accompanied by a crossover from paramagnetic to ferromagnetic, manifesting as a giant AHE in the magnetoresistance when the magnetic field is perpendicular to the crystalline mirror plane. Electronic structure calculations further indicate that, depending on the direction of the magnetic field, two distinct topological phases, Weyl semimetal and topological nodal-line semimetal, are stabilized via the exchange coupling between Eu-4f moments and conducting carriers. Our findings provide a realistic solution for external control and manipulation of band topology, enriching the functional aspects of topological materials and furthering the possibility of practical applications for topological electronics.

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“…Interesting electronic properties such as thermal transport [14][15][16], magnetotransport [17,18], anisotropic in-plane thermal transport [19], electronic band structure [20][21][22][23], particle-hole excitations [13,24], optical properties [25,26], electronic transport [27], charge and spin transport [28] have been investigated in phosphorene. Moreover, interesting effects induced by SOI in phosphorene have been reported [29][30][31][32]. It has been shown that inversion symmetry broken BP exhibits very interesting transport properties [33], where the strong anisotropy in the energy band structure along the two crystal directions leads to linear transverse neutral topological currents, accompanied by nonlinear transverse charge currents at the Fermi surface.…”

Section: Introductionmentioning

confidence: 99%

Nonlinear Hall effect in monolayer phosphorene with broken inversion symmetry

Abdullah

Sultana

2023

J. Phys.: Condens. Matter

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Nonlinear Hall effect (NLHE), a new member of the family of Hall effects, in monolayer phosphorene is investigated. We find that phosphorene exhibits pronounced NLHE, arising from the dipole moment of the Berry curvature induced by the proximity effect that breaks the inversion symmetry of the system. Remarkably, the nonlinear Hall response exhibits central minimum with a width on the order of the band gap, followed by two resonance-like peaks. Interestingly, each resonance peak of the Hall response shifts in the negative region of the chemical potential which is consistent with the shift of valence and conduction bands in the energy spectrum of monolayer phosphorene. It is observed that the two peaks are asymmetric, originated from anisotropy in the band structure of phosphorene. It is shown that the NLHE is very sensitive to the band gap and temperature of the system. Moreover, we find that a phase transition occurs in the nonlinear Hall response and nonlinear spin Hall conductivity of the system under the influence of spin–orbit interaction, tuned by the strength of interaction and band gap induced in the energy spectrum of monolayer phosphorene with broken inversion symmetry.

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Extrinsic spin-orbit coupling and spin relaxation in phosphorene

Cited by 13 publications

References 32 publications

First-principles studies of the strain-induced band-gap tuning in black phosphorene

First-principles studies of the strain-induced band-gap tuning in black phosphorene

Magnetic Generation and Switching of Topological Quantum Phases in a Trivial Semimetal α−EuP3

Nonlinear Hall effect in monolayer phosphorene with broken inversion symmetry

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