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arXiv:2603.19471

Energy renormalizations of resident carriers and excitons in transition metal dichalcogenide monolayers

Dinh Van Tuan, Junghwan Kim, Hanan Dery

cond-mat.mes-hallcond-mat.mtrl-sciphysics.comp-phquant-phSubmitted Mar 19, 2026• Announced Mar 23, 2026
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Abstract

Energy renormalizations of resident carriers and excitons are studied theoretically, and compared with recent experiments of electrostatically-doped WSe$_2$ monolayers. The calculated energy renormalization of resident carriers, subjected to strong out-of-plane magnetic field, reveals the importance of dynamical screening in transition metal dichalcogenides. The energy renormalization of tightly bound excitons is analyzed through the exchange interaction between the electron (or hole) component of the exciton and resident carriers that share the same spin and valley quantum numbers. Our theory explains the weak energy shift of excitonic resonances despite the strong energy renormalization of resident carriers. We identify the dependence of the energy renormalization on the envelope function of a tightly-bound exciton, showing that unlike free electron-hole pairs, this energy renormalization is not the added renormalizations of a resident electron and resident hole.

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Energy renormalizations of resident carriers and excitons are studied theoretically, and compared with recent experiments of electrostatically-doped WSe2_22​ monolayers. The calculated energy renormalization of resident carriers, subjected to strong out-of-plane magnetic field, reveals the importance of dynamical screening in transition metal dichalcogenides. The energy renormalization of tightly bound excitons is analyzed through the exchange interaction between the electron (or hole) component of the exciton and resident carriers that share the same spin and valley quantum numbers. Our theory explains the weak energy shift of excitonic resonances despite the strong energy renormalization of resident carriers. We identify the dependence of the energy renormalization on the envelope function of a tightly-bound exciton, showing that unlike free electron-hole pairs, this energy renormalization is not the added renormalizations of a resident electron and resident hole.
We develop an analytical procedure to retrieve fundamental material parameters of monolayer transition-metal dichalcogenides from optical and magneto-optical exciton spectra, based on the solvable modified Kratzer model. The proposed retrieval procedure naturally consists of two complementary stages. In the first stage, explicit inversion formulas determine the quasiparticle bandgap, effective screening parameter, and energy scaling factor directly from the experimentally measured energies of the three lowest excitonic states, from which the screening length is subsequently obtained. In the second stage, an analytical expression for the magnetic-field dependence of the exciton energies independently yields the reduced exciton mass, from which the surrounding dielectric constant is then calculated. Once the complete set of material parameters has been retrieved, the framework analytically predicts the diamagnetic coefficients, exciton radii, and complete magnetoexciton spectra without introducing additional fitting parameters or matrix diagonalization. The method is applied to a broad range of experimental samples for WSe2_22​, WS2_22​, MoS2_22​, MoSe2_22​, and MoTe2_22​ monolayers embedded in different dielectric environments. The retrieved material parameters are in good agreement with independent experimental measurements and previous Rytova--Keldysh (RK) calculations, while the predicted excitonic properties accurately reproduce available magneto-optical observations. The proposed analytical theory provides an efficient, physically transparent alternative to conventional numerical fitting procedures and offers an effective tool for the rapid characterization of two-dimensional semiconductors via excitonic spectroscopy.
Confinement in a magnetically induced WSe2_22​ quantum dots
Monolayer tungsten diselenide (WSe2_22​) has become a suitable platform for quantum transport and spintronics and valleytronics applications because it possesses an intrinsic band gap and strong spin-orbit coupling and spin-valley coupling features. The electrostatic confinement of Dirac fermions proves challenging in graphene because of Klein tunneling, yet WSe2_22​ provides an environment that supports both carrier localization and the development of confined quantum states. In this work, we theoretically investigate the confinement of massive Dirac fermions in a WSe2_22​ quantum dot generated by a localized magnetic field. Using the effective Dirac Hamiltonian in the presence of a magnetic flux, we derive the exact wave functions and scattering coefficients by employing Kummer's confluent hypergeometric functions together with Bessel and Hankel functions. Our results show that the localized magnetic field provides an efficient mechanism to suppress Klein tunneling and promote the formation of stable quasibound states. We systematically examine the scattering efficiency and carrier density distributions as functions of the incident energy, magnetic field strength, and quantum dot radius. We find that low-energy carriers are strongly confined by the magnetic barrier, while the interplay between magnetic localization and geometric confinement gives rise to sharp and tunable resonance peaks. These results provide valuable insight into the control of spin-valley transport in transition metal dichalcogenide nanostructures and establish a theoretical basis for the development of quantum confinement devices and quantum information technologies.
Gate-tunable spin-valley transport via carrier velocity in monolayer WSe2_22​
We theoretically investigate spin- and valley-resolved quantum transport in monolayer tungsten diselenide (WSe2_22​) described by an effective massive Dirac Hamiltonian. Particular attention is devoted to a finite barrier region characterized by simultaneously modulated Fermi velocity and scalar potential. The barrier velocity v2v_2v2​ is related to the external velocity v1v_1v1​ through a velocity ratio ξ=v2/v1ξ=v_2/v_1ξ=v2​/v1​, motivated by an optical analogy with the Snell-Descartes law. The exact refraction condition depends on the full spin- and valley-resolved dispersion, and the simple ratio ξ=v2/v1ξ=v_2/v_1ξ=v2​/v1​ is recovered only in the massless, symmetric limit. The interplay of intrinsic spin-orbit coupling in the conduction and valence bands, quantified by λcλ_cλc​ and λvλ_vλv​, with spin- and valley-dependent Zeeman fields, MsM_sMs​ and MvM_vMv​, gives rise to substantial changes in the quasiparticle dispersion, leading to pronounced modifications of the transport characteristics. By solving the Dirac equation and enforcing current-conserving matching conditions at the interfaces, we compute the spin- and valley-dependent transmission probability and conductance. Our results demonstrate that the barrier velocity, scalar potential, incidence angle, incident energy, and barrier width serve as effective control parameters for transport, giving rise to strong anisotropy and resonant tunneling features. Furthermore, we show that both the magnitude and orientation of spin- and valley-polarized currents can be continuously tuned via velocity and potential modulation. These findings establish combined velocity and potential engineering as a powerful theoretical framework for controlling spin-valley physics in two-dimensional transition-metal dichalcogenides.
Direct evidence of exciton condensation in semiconductor heterostructures remains elusive. Here we propose charge transport of doped carriers as a probe of exciton condensation in transition-metal dichalcogenide heterostructures and identify distinct experimental signatures. First, condensation suppresses the phase space for carrier scattering, leading to a reduction in resistivity, that provides a general diagnostic of exciton condensation. Second, in heterostructures with a tunable solid-state Feshbach resonance, condensate-induced hybridization between doped carriers and trion bound states qualitatively modifies transport. In particular, near resonance, this hybridization yields a negative effective mass and a corresponding sign reversal of the Hall resistivity. These results establish charge transport as a promising route for detecting and characterizing exciton condensation in semiconductor heterostructures.
This paper focuses on the study of linear exciton Hall and Nernst effects in monolayer two-dimensional (2D) semiconductors, employing the semi-classical transport theory. By deriving the exciton Berry curvature in momentum space for a general inhomogeneous 2D system, we establish its dependence on the Berry curvature and the effective mass of electron and hole. As illustrative examples, the exciton Hall effect in monolayer transition metal dichalcogenides (TMDs) and black phosphorus (BP) are calculated. For these materials, we demonstrate that a linear Hall (Nernst) exciton current with the non-zero Berry curvature is strictly forbidden by the symmetries. This finding aligns with earlier experimental observations on the exciton Hall effect in MoSe2_22​. In contrast, a strong anisotropy in BP leads to a net linear Hall current of excitons, exhibiting a relatively large value and resembling an anomalous Hall effect rather than a valley Hall effect. Our work reveals that the specific symmetry of 2D materials can induce a significant linear exciton Hall (Nernst) effect even without Berry curvature, which is normally forbidden with non-zero Berry curvature in the monolayer 2D material. This observation holds promise for future optoelectronic applications and offers exciting possibilities for experimental exploration.
We study low-dimensional quantum systems with analytical and computational methods. Firstly, the one-dimensional extended ttt-VVV model of fermions with interactions of a finite range is investigated. The model exhibits a phase transition between liquid and insulating regimes. We use various analytical approaches to generalise previous theoretical studies. We devise a strong coupling expansion to go beyond first-order perturbation theory. The method is insensitive to the presence or the lack of integrability of the system. We extract the ground state energy and critical parameters of the model near the Mott insulating commensurate density. We also study the possible charge-density-wave phases that exist when the model is at the critical density. Secondly, we investigate Mott-Wannier complexes of two (excitons), three (trions) and four (biexcitons) charge carriers in two-dimensional semiconductors. Our study also includes impurity-bound complexes. We provide a classification of trions and biexcitons in transition-metal dichalcogenides, which incorporates the difference of spin polarisation between molybdenum- and tungsten-based materials. Using the diffusion Monte Carlo method, which is statistically exact for these systems, we extract binding energies of the complexes for a complete set of parameters of the model. Our results are compared with theoretical and experimental work on transition-metal dichalcogenides. An agreement is found for excitonic and trionic results, but we also observe a large discrepancy in the theoretical biexcitonic binding energies as compared to the experimental values. Possible reasons for this are outlined. We also calculate contact pair densities, which in the future can be used in the determination of the contact interaction.