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Register a new userInSe as a case between 3D and 2D layered crystals for excitons
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We demonstrate the successive appearance of the exciton, biexciton, and P band of the exciton-exciton scattering with increasing excitation power in the photoluminescence of indium selenide layered crystals. The strict energy and momentum conservation rules of the P band are used to reexamine the exciton binding energy. The new value $geq 20$ meV is markedly higher than the currently accepted 14 meV, being however well consistent with the robustness of excitons up to room temperature. A peak controlled by the Sommerfeld factor is found near the bandgap ($sim 1.36$ eV), which puts the question on the pure three-dimensional character of the exciton in InSe, which has been assumed up to now. Our findings are of paramount importance for the successful application of InSe in nanophotonics.
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The structure and mobility of dislocations in the layered semiconductor InSe is studied within a multiscale approach based on generalized Peierls--Nabarro model with material-specific parametrization derived from first principles. The plasticity of InSe turns out to be attributed to peculiarities of the generalized stacking fault relief for the interlayer dislocation slips such as existence of the stacking fault with a very low energy and low energy barriers. Our results give a consistent microscopic explanation of recently observed [Science {bf 369}, 542 (2020)] exceptional plasticity of InSe.
The temperature effect on the Raman scattering efficiency is investigated in $varepsilon$-GaSe and $gamma$-InSe crystals. We found that varying the temperature over a broad range from 5 K to 350 K permits to achieve both the resonant conditions and the antiresonance behaviour in Raman scattering of the studied materials. The resonant conditions of Raman scattering are observed at about 270 K under the 1.96 eV excitation for GaSe due to the energy proximity of the optical band gap. In the case of InSe, the resonant Raman spectra are apparent at about 50 K and 270 K under correspondingly the 2.41 eV and 2.54 eV excitations as a result of the energy proximity of the mbox{so-called} B transition. Interestingly, the observed resonances for both materials are followed by an antiresonance behaviour noticeable at higher temperatures than the detected resonances. The significant variations of phonon-modes intensities can be explained in terms of electron-phonon coupling and quantum interference of contributions from different points of the Brillouin zone
In this work, we present a model of the surface states of nonsymmorphic semimetals. These are derived from surface mass terms that lift the high degeneracy imposed in the band structure by the nonsymmorphic bulk symmetries. Reflecting the reduced symmetry at the surface, the bulk bands are strongly modified. This leads to the creation of two-dimensional floating bands, which are distinct from Shockley states, quantum well states or topologically protected surface states. We focus on the layered semimetal ZrSiS to clarify the origin of its surface states. We demonstrate an excellent agreement between DFT calculations and ARPES measurements and present an effective four-band model in which similar surface bands appear. Finally, we emphasize the role of the surface chemical potential by comparing the surface density of states in samples with and without potassium coating. Our findings can be extended to related compounds and generalized to other crystals with nonsymmorphic symmetries.
Using ab initio methods based on density functional theory, the electronic and magnetic structure of layered hexagonal NbSe$_{2}$ is studied. In the case of single-layer NbSe$_{2}$ it is found that, for all the functionals considered, the magnetic solution is lower in energy than the non-magnetic solution. The magnetic ground-state is ferrimagnetic with a magnetic moment of 1.09 $mu_{B}$ at the Nb atoms and a magnetic moment of 0.05 $mu_{B}$, in the opposite direction, at the Se atoms. Our calculations show that single-layer NbSe$_{2}$ does not display a charge density wave instability unless a graphene layer is considered as a substrate. Then, two kinds of 3$times$3 charge density waves are found, which are observed in our STM experiments. This suggest that the driving force of charge instabilities in NbSe$_{2}$ differ in bulk and in the single-layer limit. Our work sets magnetism into play in this highly-correlated 2D material, which is crucial to understand the formation mechanisms of 2D superconductivity and charge density wave order.
The interaction between transverse magnetic domain walls (TDWs) in planar (2D) and cylindrical (3D) nanowires is examined using micromagnetic simulations. We show that in perfect and surface deformed wires the free TDWs behave differently, as the 3D TDWs combine into metastable states with average lifetimes of 300ns depending on roughness, while the 2D TDWs do not due to 2D shape anisotropy. When the 2D and 3D TDWs are pinned at artificial constrictions, they behave similarly as they interact mainly through the dipolar field. This magnetostatic interaction is well described by the point charge model with multipole expansion. In surface deformed wires with artificial constrictions, the interaction becomes more complex as the depinning field decreases and dynamical pinning can lead to local resonances. This can strongly influence the control of TDWs in DW-based devices.
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