Effect of electron doping on lattice instabilities in single-layer 
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Albertini, Oliver R.; Liu, Amy; Calandra, Matteo

doi:10.1103/physrevb.95.235121

Cited by 40 publications

(32 citation statements)

References 21 publications

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“…2 (a), the bare phonon dispersions in Ref. 66, which have not been obtained from cDFPT but estimated from DFPT data, differ from those found here by not being smooth but still displaying a dip at the wave vector associated with the 3 × 3 CDW. Possible origins of this discrepancy are that the analysis in Ref.…”

Section: Ab-initio Phonon Self-energiescontrasting

confidence: 79%

“…While the screened phonon dispersions in Ref. 66 are similar to those depicted in Fig. 2 (a), the bare phonon dispersions in Ref.…”

Section: Ab-initio Phonon Self-energiessupporting

confidence: 64%

“…Phonon self-energies, screened, and bare phonon dispersions for 1H-TaS 2 have also been calculated in Ref. 66, albeit with a different procedure. While the screened phonon dispersions in Ref.…”

Section: Ab-initio Phonon Self-energiesmentioning

confidence: 99%

“…Possible origins of this discrepancy are that the analysis in Ref. 66 has been restricted to the diagonal components of the phonon selfenergy and that the calculations involved only screened electron-phonon vertices instead of the required combination of bare and screened vertices as in Eq. (2b).…”

Section: Ab-initio Phonon Self-energiesmentioning

confidence: 99%

“…Charge doping is known to affect CDW instabilities by shifting the ordering wave vectors and suppressing or supporting CDW order in many materials from high-T c superconductors [4] to TMDCs [44,[81][82][83][84] and 1H-TaS 2 in particular [62,66,85,86]. We studied the dependence of the LA phonon mode on charge doping in the phonon self-energy formalism [Eqs.…”

Section: B Doping Dependence and Van Hove Scenariosmentioning

confidence: 99%

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Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides

et al. 2020

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We present an ab-initio approach for the calculation of phonon self-energies and their fluctuation diagnostics, which allows us to identify the electronic processes behind phonon anomalies. Application to the prototypical transition-metal dichalcogenide 1H-TaS2 reveals that coupling between the longitudinal-acoustic phonons and the electrons from an isolated low-energy metallic band is entirely responsible for phonon anomalies like mode softening and associated charge-density waves observed in this material. Our analysis allows to distinguish between different mode-softening mechanisms including matrix-element effects, Fermi-surface nesting, and Van Hove scenarios. We find that matrix-element effects originating from a peculiar type of Dirac pseudospin textures control the charge-density-wave physics in 1H-TaS2 and similar transition-metal dichalcogenides. arXiv:1911.02450v1 [cond-mat.str-el]

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Section: Ab-initio Phonon Self-energiescontrasting

confidence: 79%

“…While the screened phonon dispersions in Ref. 66 are similar to those depicted in Fig. 2 (a), the bare phonon dispersions in Ref.…”

Section: Ab-initio Phonon Self-energiessupporting

confidence: 64%

Section: Ab-initio Phonon Self-energiesmentioning

confidence: 99%

Section: Ab-initio Phonon Self-energiesmentioning

confidence: 99%

Section: B Doping Dependence and Van Hove Scenariosmentioning

confidence: 99%

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Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides

et al. 2020

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Intercalated phases of transition metal dichalcogenides

Wang

et al. 2020

SmartMat

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Two‐dimensional transition metal dichalcogenides (TMDs) play host to a wide range of novel topological states, such as quantum spin Hall insulators, superconductors, and Weyl semimetals. The rich polymorphism in TMDs suggests that phase engineering can be used to switch between different charge order states. Intercalation of atoms or molecules into the van der Waals gap of TMDs has emerged as a powerful approach to modify the properties of the material, leading to phase transition or the formation of substoichiometric phases via compositional tuning, thus broadening the electronic and optical landscape of these materials for a wide range of applications. Here, we review the current efforts in the preparation of intercalated TMD. The challenges and opportunities for intercalated TMDs to create a new device paradigm for material science are discussed.

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