Phenomenological model for long-wavelength optical modes in transition metal dichalcogenide monolayer

Trallero‐Giner, C.; Menéndez-Proupín, E.; Morell, E. Suárez; Pérez‐Álvarez, R.; Santiago-Pérez, Darío G.

doi:10.1103/physrevb.103.235424

Cited by 8 publications

(20 citation statements)

References 53 publications

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“…( 19 ). 54 0.43 0.49 0.35 0.39 (meV) 41 49.5 29.4 51 30.2 (meV) 41 46.9 34.9 43.3 30 (eV/Å) 5.8, 1.75 5.2, 1.10 3.1 2.3 (eV) 41 0.356 0.538 0.162 0.301 a (Å) 41 3.1635 3.2974 3.1627 3.2954 (Å) 41 46.018 53.3517 41.898 48.704 The highest values of 5.8 eV/Å and 5.2 eV/Å for MoS and MoSe , respectively, were obtained adjusting the ab initio calculations with the relaxation time 40 . The values of 1.75 eV/Å and 1.10 eV/Å were derived by employing the pseudopotential method 47 .…”

Section: Methodsmentioning

confidence: 99%

“…In ML of TMDs, optical phonons with the irreducible representations and at the center of the Brillouin zone (BZ) 39 couple electronic states via intravalley EP mechanisms at K or K -valleys 40 . Consequently, the interaction of electrons with the short-range A -homopolar deformation potential (DP) and the long-range PF contributions must be considered for a correct evaluation of the polaron properties 41 . The peculiarity of the TMD with two independent electronic intravalley transitions assisted by optical phonons with different symmetry introduces new qualitative and quantitative differences from the well-known magneto-phonon resonances in semiconductors.…”

Section: Introductionmentioning

confidence: 99%

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New magneto-polaron resonances in a monolayer of a transition metal dichalcogenide

Trallero‐Giner

Santiago-Pérez

Fomin

2023

Sci Rep

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Transition metal dichalcogenide (TMD) semiconductors are two-dimensional materials with great potential for the future of nano-optics and nano-optoelectronics as well as the rich and exciting development of basic research. The influence of an external magnetic field on a TMD monolayer raises a new question: to unveil the behavior of the magneto-polaron resonances (MPRs) associated with the phonon symmetry inherent in the system. It is shown that the renormalized Landau energy levels are modified by the interplay of the long-range Pekar–Fröhlich (PF) and short-range deformation potential (DP) interactions. This leads to a new series of MPRs involving the optical phonons at the center of the Brillouin zone. The coupling of the two Landau levels with the LO and $$A_1$$ A 1 optical phonon modes provokes resonant splittings of double avoided-crossing levels giving rise to three excitation branches. This effect appears as bigger energy gaps at the anticrossing points in the renormalized Landau levels. To explore the interplay between the MPRs, the electron-phonon interactions (PF and DP) and the couplings between adjacent Landau levels, a full Green’s function treatment for the evaluation of the energy and its life-time broadening is developed. A generalization of the two-level approach is performed for the description of the new MPR branches. The obtained results are a guideline for the magneto-optical experiments in TMDs, where three MPR peaks should be observable.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

New magneto-polaron resonances in a monolayer of a transition metal dichalcogenide

Trallero‐Giner

Santiago-Pérez

Fomin

2023

Sci Rep

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“…The value of δ /hω A 1 = 0.02 is used. a is the optimized lattice constant and G Ph is the PF coupling constant (18 39 49.5 29.4 51 30.2 hω LO (meV) 39 46.9 34.9 43.3 30 D c (eV/ Å) 54 5.8, 1.75 5.2, 1.10 3.1 2.3 G Ph (eV) 39 0.356 0.538 0.162 0.301 a ( Å) 39 3.1635 3.2974 3.1627 3.2954 r 0 ( Å) 39 46.018 53.3517 41.898 48.704 where ρ m is the 2D reduced mass density associated with the two chalcogen atoms, ω A 1 the ZO-phonon frequency, D c the deformation potential constant, A = √ 3a 2 /2 the area of the unit cell, a the lattice constant, and N c the number of cells. Taking advantage of the fact that C DP q is independent of the phonon wave vector and employing the result ∞ 0 T N ′ ,N (Q)dQ = 1 55 , the self-energy acquires the form…”

Section: Intra-band Deformation Potentialmentioning

confidence: 99%

“…where ω LO is the in-plane phonon-frequency at q = 0, ρ m the mass density with the reduced atomic mass µ = m −1 M + (2m X ) −1 , α the coupling constant between the atomic displacement and the in-plane macroscopic electric field, and r 0 the screening parameter 39 . In this case, the contribution of the long-range interaction to the self-energy is…”

Section: Pekar-fr öHlich Interactionmentioning

confidence: 99%

“…In ML of TMDs, optical phonons with the irreducible representations A 1 and E ′ (LO) at the center of the Brillouin zone (BZ) 37 couple electronic states via intravalley EP mechanisms at K or K ′ -valleys 38 . Consequently, the interaction of electrons with the short-range A 1 -homopolar deformation potential (DP) and the long-range PF contributions must be considered for a correct evaluation of the polaron properties 39 . The peculiarity of the TMD with two independent electronic intravalley transitions assisted by optical phonons with different symmetry introduce new qualitative and quantitative differences from the well-known magneto-phonon resonances in semiconductors.…”

Section: Introductionmentioning

confidence: 99%

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New magneto-polaron resonances in a monolayer of a transition metal dichalcogenide

Trallero‐Giner

Santiago-Pérez

Fomin

2022

Preprint

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Transition metal dichalcogenide (TMD) semiconductors are two-dimensional materials with great potential for the future of nano-optics and nano-optoelectronics as well as the rich and exciting development of basic research. The influence of an external magnetic field on a TMD monolayer raises a new question: to unveil the behavior of the magneto-polaron resonances (MPRs) associated with the phonon symmetry inherent in the system.It is shown that the renormalized Landau energy levels are modified by the interplay of the long-range Pekar-Fröhlich (PF) and short-range deformation potential (DP) interactions. It leads to a new series of MPRs involving the optical phonons at the center of the Brillouin zone. The coupling of the two Landau levels with the LO and A1 optical phonon modes provokes resonant splittings of double avoided-crossing levels giving rise to three excitation branches. This effect appears as bigger energy gaps at the anticrossing points in the renormalization Landau levels.To explore the interplay between the MPR, the electron-phonon interactions (PF and DP) and the couplings between adjacent Landau levels, a full Green's function treatment for the evaluation of the energy and its life-time broadening is developed. A generalization of the two-level approach is performed for the description of the new MPR branches. The obtained results are a guideline for the magneto-optical experiments in TMDs, where three MPR peaks should be observable.

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Rydberg Excitons and Doubly Resonant Raman Scattering in Transition-Metal Dichalcogenides

Trallero-Giner,

Santiago-Pérez,

Vasilevskiy

et al. 2023

J. Phys. Chem. C

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Monolayer transition-metal dichalcogenides (TMDs) are emergent semiconductor materials with a wide range of potential applications. Rydberg excitons are similar to the Rydberg atomic states having a large principal quantum number n. The huge binding energies found in TMD semiconductors, up to 900 meV, facilitate studies of the Rydberg excitons, opening a new perspective of research by employing their long lifetimes, strong dipolar interactions, and the potential for coherent effects and quantum chaos. In the framework of a microscopic theory, we provide a complete description of the first-order resonant Raman scattering (RRS) valid for two-dimensional (2D) TMD semiconductors. Assuming as electronic intermediate states the high-n exciton states, we present explicit expressions for the RRS intensity, which are valid for incident laser energies close to the excitonic resonances. The intravalley Pekar−Froḧlich polar longitudinal optical mode and A 1 -homopolar mode deformation potential coupling mechanisms are considered. We report a large enhancement of the Raman efficiency due to the simultaneous incoming and outgoing resonances with bound exciton states, occurring for an appropriate choice of the excitation photon energy. We show that the 2D semiconductors guarantee the necessary conditions for the doubly RRS (DRRS) when intravalley transitions occur between two different Rydberg states separated by an optical phonon energy. The observation of the intravalley DRRS process can open new perspectives for deeper studies of the role of Rydberg excitons in solidstate physics.

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Phenomenological model for long-wavelength optical modes in transition metal dichalcogenide monolayer

Cited by 8 publications

References 53 publications

New magneto-polaron resonances in a monolayer of a transition metal dichalcogenide

New magneto-polaron resonances in a monolayer of a transition metal dichalcogenide

New magneto-polaron resonances in a monolayer of a transition metal dichalcogenide

Rydberg Excitons and Doubly Resonant Raman Scattering in Transition-Metal Dichalcogenides

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