Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons

Neupane, Bimal; Tang, Hong; Nepal, Niraj K.; Ruzsinszky, Adrienn

doi:10.1103/physrevmaterials.6.014010

Cited by 4 publications

(4 citation statements)

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“…Nanoribbons are interesting, reduced forms of 2D layered materials. [18][19][20][21][22][23][24][25][26] Compared with their 2D counterparts, they have more spatial confinement effects and rich edge states, making Department of Physics, Temple University, Philadelphia, PA 19122, USA. E-mail: hongtang@temple.edu † Electronic supplementary information (ESI) available: Technical note 1 for spinpolarization anisotropy analyses for A12WSe 2 and A7WSe 2 nanoribbons, note 2 for the d-orbital decomposition analyses for A13WSe 2 , Table S1 for the five observations to the band structure map of the d-orbital decomposition of the spin-polarization along the x and y axes for the A13WSe 2 nanoribbon under different bending conditions, note 3 for the k-grid convergence test of the optical absorption spectrum, Fig.…”

Section: Introductionmentioning

confidence: 99%

“…19 Tang et al 21 showed that the direction of magnetization in CrI 3 nanoribbons can be stably aligned both out-of-plane and parallel to the ribbon axis, increasing their operating controllability. Also, the rich exciton states are shown in SiC, 22 MoS 2 , 23 black phosphorene, 24 and CrI 3 nanoribbons, 21 and the exciton states can be tuned by bending or strains in the nanoribbons.…”

Section: Introductionmentioning

confidence: 99%

“…Nanoribbons are interesting, reduced forms of 2D layered materials. 18–26 Compared with their 2D counterparts, they have more spatial confinement effects and rich edge states, making them rife of new functionalities and attractive for applications in compact nanoelectronics, magnetic, optoelectronic, and band-topology based electronic and quantum information devices. 18,19 MoS 2 zigzag nanoribbons were calculated as metallic and with ferromagnetic edges.…”

Section: Introductionmentioning

confidence: 99%

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Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

et al. 2023

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

et al. 2023

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“…Both Jiang et al and Wang et al calculated the magnetic properties of CrI 3 nanoribbons and confirmed that FM is the stable state for CrI 3 nanoribbons, and the edge states dominate the band structures around the Fermi level. By applying uniaxial strains or bending, one can create local strains on the nanoribbons and effectively modify the edge states and band structures, − leading to controllable electronic and optical properties. In this work, we investigate tensile strains and bending-induced tunability of electronic structures of the magnetic CrI 3 nanoribbons.…”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI₃ Nanoribbons: Implications for Compact 2D Magnetic Devices

Tang

Neupane

Yan

et al. 2022

ACS Appl. Nano Mater.

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A chromium triiodide (CrI3) monolayer has an interesting ferromagnetic ground state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI3 nanoribbons with density functional theory. The edge iodine atoms form flat low-lying conduction bands and couple with chromium atoms ferromagnetically, while the non-edge iodine atoms weakly couple antiferromagnetically. Narrow CrI3 nanoribbons have two locally stable magnetic moment orientations, namely, out-of-plane and in-plane (along the nanoribbon periodic direction) configurations. This enables four magnetization states in CrI3 nanoribbons, including two out-of-plane ones (up and down) and two in-plane ones (forward and backward along the nanoribbon periodical direction), increasing the operating controllability. Based on the one-dimensional Ising spin chain model, the spin correlation length of the narrow CrI3 nanoribbon is estimated to be about 10 Å at its estimated Curie temperature of 27 K, which is lower than the measured 45 K of the monolayer CrI3. The optical absorption and magneto-optical properties of CrI3 nanoribbons are investigated with many-body perturbation GW-BSE (Bethe–Salpeter equation), including magnetic dichroism and Faraday and magneto-optical Kerr effects. The low-energy dark excitons are mainly from transitions between electrons and holes with unlike spins and are non-Frenkel-like, while the bright excitons have mixed spin configurations. The intrinsic lifetime of excitons can be over one nanosecond, suitable for quantum information processes. Tensile strains and bending manifestly modulate the absorption spectra and magneto-optical properties of CrI3 nanoribbons within a technologically important photon energy range of ∼1.0–2.0 eV. The CrI3 nanoribbons can be used in 1D or 2D magnetic storage nanodevices, tunable magnetic optoelectronics, and spin-based quantum information controls.

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Nagaoka ferromagnetism in an array of phosphorene quantum dots

Thakur,

Szafran

2023

Sci Rep

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We consider an array of four quantum dots defined in phosphorene containing three excess electrons, i.e., in the conditions of near half filling when itinerant Nagaoka ferromagnetism is expected to appear in a square array with isotropic interdot hopping. The interdot hopping in the array arranged in a square inherits the anisotropy from the form of the phosphorene conduction band. We apply the configuration interaction method for discussion of the appearance and stability of the spin-polarized ground state and discuss the compensation of the effective mass anisotropy by the geometry of the quantum dot array. Our study shows strong stability of Nagaoka ferromagnetism for optimized geometry of the array, with the Nagaoka gap as large as ∼ 230 µeV. A phase diagram for the ground-state spin ordering versus the geometric parameters of the array is presented. We study the suppression of the ferromagnetism in a transition of the $$2\times 2$$ 2 × 2 array to a quasi-1D chain and indicate that the shift of one of the quantum dots away from the array center is enough to transform the system to a quantum dot chain. A shift in the zigzag crystal direction induces the low-spin ground state more effectively than a shift along the armchair direction. We also discuss the robustness of the spin ordering against detuning one of the dots. The ferromagnetic ground-state survives as long as the detuning is not large enough to trap one of the electrons within a single quantum dot (for positive detuning) or remove one of the quantum dots of the accessible energy range (for negative detuning).

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Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons

Cited by 4 publications

References 50 publications

Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI₃ Nanoribbons: Implications for Compact 2D Magnetic Devices

Nagaoka ferromagnetism in an array of phosphorene quantum dots

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Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons

Cited by 4 publications

References 50 publications

Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI3 Nanoribbons: Implications for Compact 2D Magnetic Devices

Nagaoka ferromagnetism in an array of phosphorene quantum dots

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Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI₃ Nanoribbons: Implications for Compact 2D Magnetic Devices