Remote free-carrier screening to boost the mobility of Fröhlich-limited two-dimensional semiconductors

Sohier, Thibault; Gibertini, Marco; Verstraete, Matthieu J.

doi:10.1103/physrevmaterials.5.024004

Cited by 16 publications

(9 citation statements)

References 64 publications

(108 reference statements)

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“…The second is a more peculiar multi-valley mechanism, that can actually enhance the coupling with LA and A1 modes at large doping, when K and Q (or Γ) are both occupied [33,62,63]. While some works have considered standard screening in the literature [64][65][66], the multivalley mechanism was only recently understood qualitatively for the A1 mode [33] and has not yet been accounted for in mobility simulations. Here, it is modeled quantitatively (see section 3) and discovered to govern the coupling to the LA mode as well.…”

Section: Transport As a Function Of Electrostatic Doping And Valley P...mentioning

confidence: 99%

“…For the LO and TA phonon, coupling to electrons via the Fröhlich and piezoelectric interactions, the matrix elements are corrected with the ratio of the dielectric functions computed as ε = 1 − v c (χ 0 + χ 0 d ), where v c = 2πe 2 q is the Coulomb kernel in 2D. χ 0 d is the dielectric susceptibility (of the neutral material) computed from DFPT as in [65]. The non-interacting susceptibility χ 0 from the added carriers is computed similarly to our previous work [65] but in the new shifted band structure:…”

Section: Mobilitymentioning

confidence: 99%

“…χ 0 d is the dielectric susceptibility (of the neutral material) computed from DFPT as in [65]. The non-interacting susceptibility χ 0 from the added carriers is computed similarly to our previous work [65] but in the new shifted band structure:…”

Section: Mobilitymentioning

confidence: 99%

See 2 more Smart Citations

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

Sohier¹,

Melo²,

Verstraete³

et al. 2023

2D Mater.

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The transport and optical properties of semiconducting transition metal dichalcogenides around room temperature are dictated by electron-phonon scattering mechanisms within a complex, spin-textured and multi-valley electronic landscape. The relative positions of the valleys are critical, yet they are sensitive to external parameters and very difficult to determine directly. We propose a first-principles model as a function of valley positions to calculate carrier mobility and Kerr rotation angles, and apply it to MoS$_2$, WS$_2$, MoSe$_2$, and WSe$_2$. The model brings valuable insights, as well as quantitative predictions of macroscopic properties for a wide range of carrier density. The doping-dependant mobility displays a characteristic peak, the height depending on the position of the valleys. In parallel, the Kerr rotation signal is enhanced when same spin-valleys are aligned, and quenched when opposite spin-valleys are populated. We provide guidelines to optimize and correlate these quantities with respect to experimental parameters, as well as the theoretical support for \emph{in situ} characterization of the valley positions.

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Section: Transport As a Function Of Electrostatic Doping And Valley P...mentioning

confidence: 99%

Section: Mobilitymentioning

confidence: 99%

See 1 more Smart Citation

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

Sohier¹,

Melo²,

Verstraete³

et al. 2023

2D Mater.

Self Cite

View full text Add to dashboard Cite

show abstract

“…For the LO and TA phonon, coupling to electrons via the Fröhlich and piezoelectric interactions, the matrix elements are corrected with the ratio of the dielectric functions computed as = 1 − v c χ 0 , where v c = 2π q is the Coulomb kernel in 2D. The non-interacting susceptibility χ 0 of the added carriers, is computed similarly to our previous work 71 but in the new shifted band structure:…”

Section: Mobilitymentioning

confidence: 99%

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

Sohier¹,

Melo²,

Zanolli³

et al. 2022

Preprint

Self Cite

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The transport and optical properties of semiconducting transition metal dichalcogenides around room temperature are dictated by electron-phonon scattering mechanisms within a complex, spin-textured and multi-valley electronic landscape. The relative positions of the valleys are critical, yet they are sensitive to external parameters and very difficult to determine directly. We propose a first-principle model as a function valley positions to calculate carrier mobility and Kerr rotation angles. The model brings valuable insights, as well as quantitative predictions of macroscopic properties for a wide range of carrier density. The doping-dependant mobility displays a characteristic peak, the height depending on the position of the valleys. The Kerr rotation signal is enhanced when same spin-valleys are aligned, and quenched when opposite spin-valleys are populated. We provide guidelines to optimize these quantities with respect to experimental parameters, as well as the theoretical support for in situ characterization of the valley positions.

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“…Work by Pizzi et al [30] on layer-dependent interactions in stacked materials composed of the same ML used symmetry arguments and a spring model to understand layer dependent vibrational properties in vdW structures. Sohier et al [31] examined the effect of dielectric heterostructuring on charge transport through explicit mutually induced electrostatics. In the hexagonal TMDs, Phillips et al [32] and Terrones et al [33] calculated the electronic structure of experimentally realized bilayer heterostructures in both AA and AA' stacking (known as "AB stacking" in their work) assuming a commensurate structure and found both direct and indirect electronic band gaps.…”

Section: Introductionmentioning

confidence: 99%

Spontaneous interlayer compression in commensurately stacked van der Waals heterostructures

et al. 2021

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Interest in layered two-dimensional materials, particularly stacked heterostructures of transition-metal dichalcogenides, has led to the need for a better understanding of the structural and electronic changes induced by stacking. Here, we investigate the effects of idealized heterostructuring, with periodic commensurate stacking, on the structural, electronic, and vibrational properties, when compared to the counterpart bulk transition-metal dichalcogenide. We find that in heterostructures with dissimilar chalcogen species there is a strong compression of the interlayer spacing, compared to the bulk compounds. This compression of the heterostructure is caused by an increase in the strength of the induced polarization interaction between the layers, but not a full charge transfer. We argue that this effect is real, not due to the imposed commensurability, and should be observable in heterostructures combining different chalcogens. Interestingly, we find that incommensurate stacking of Ti-based dichalcogenides can lead to the stabilization of the charge-density wave phonon mode, which is unstable in the 1T phase at low temperature. Mixed Ti-and Zr-based heterostructures are still dynamically unstable, but TiS 2 /ZrS 2 becomes ferroelectric.

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Remote free-carrier screening to boost the mobility of Fröhlich-limited two-dimensional semiconductors

Cited by 16 publications

References 64 publications

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

Spontaneous interlayer compression in commensurately stacked van der Waals heterostructures

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