Excitons in van der Waals heterostructures: The important role of dielectric screening

The existence of strongly bound excitons is one of the hallmarks of the newly discovered atomically thin semi-conductors. While it is understood that the large binding energy is mainly due to the weak dielectric screening in two dimensions (2D), a systematic investigation of the role of screening on 2D excitons is still lacking. Here we provide a critical assessment of a widely used 2D hydrogenic exciton model which assumes a dielectric function of the form {\epsilon}(q) = 1 + 2{\pi}{\alpha}q, and we develop a quasi-2D model with a much broader applicability. Within the quasi-2D picture, electrons and holes are described as in-plane point charges with a finite extension in the perpendicular direction and their interaction is screened by a dielectric function with a non-linear q-dependence which is computed ab-initio. The screened interaction is used in a generalized Mott-Wannier model to calculate exciton binding energies in both isolated and supported 2D materials. For isolated 2D materials, the quasi-2D treatment yields results almost identical to those of the strict 2D model and both are in good agreement with ab-initio many-body calculations. On the other hand, for more complex structures such as supported layers or layers embedded in a van der Waals heterostructure, the size of the exciton in reciprocal space extends well beyond the linear regime of the dielectric function and a quasi-2D description has to replace the 2D one. Our methodology has the merit of providing a seamless connection between the strict 2D limit of isolated monolayer materials and the more bulk-like screening characteristics of supported 2D materials or van der Waals heterostructures.Comment: 14 pages, 13 figure

Charge dynamics in molecular junctions: Nonequilibrium Green's Function approach made fast

Real-time Green's function simulations of molecular junctions (open quantum systems) are typically performed by solving the Kadanoff-Baym equations (KBE). The KBE, however, impose a serious limitation on the maximum propagation time due to the large memory storage needed. In this work we propose a simplified Green's function approach based on the Generalized Kadanoff-Baym Ansatz (GKBA) to overcome the KBE limitation on time, significantly speed up the calculations, and yet stay close to the KBE results. This is achieved through a twofold advance: first we show how to make the GKBA work in open systems and then construct a suitable quasi-particle propagator that includes correlation effects in a diagrammatic fashion. We also provide evidence that our GKBA scheme, although already in good agreement with the KBE approach, can be further improved without increasing the computational cost.Comment: 13 pages, 13 figure

New insight into WDVV equation

We show that Witten-Dijkgraaf-Verlinde-Verlinde equation underlies the construction of N=4 superconformal multi--particle mechanics in one dimension, including a N=4 superconformal Calogero model.Comment: 16 pages, no figures, LaTeX file, PACS: 04.60.Ds; 11.30.P

Aldosterone status associates with insulin resistance in patients with heart failure-data from the ALOFT study

<b>Background</b>: Aldosterone plays a key role in the pathophysiology of heart failure. In around 50% of such patients, aldosterone 'escapes' from inhibition by drugs that interrupt the renin-angiotensin axis; such patients have a worse clinical outcome. Insulin resistance is a risk factor in heart failure and cardiovascular disease. The relationship between aldosterone status and insulin sensitivity was investigated in a cohort of heart failure patients. <b>Methods</b>: 302 patients with New York Heart Association (NYHA) class II-IV heart failure on conventional therapy were randomized in ALiskiren Observation of heart Failure Treatment study (ALOFT), designed to test the safety of a directly acting renin inhibitor. Plasma aldosterone and 24-hour urinary aldosterone excretion as well as fasting insulin and Homeostasis model assessment of insulin resistance (HOMA-IR) were measured. Subjects with aldosterone escape and high urinary aldosterone were identified according to previously accepted definitions. <b>Results</b>: Twenty per-cent of subjects demonstrated aldosterone escape and 34% had high urinary aldosterone levels. At baseline, there was a positive correlation between fasting insulin and plasma(r=0.22 p<0.01) and urinary aldosterone(r=0.19 p<0.03). Aldosterone escape and high urinary aldosterone subjects both demonstrated higher levels of fasting insulin (p<0.008, p<0.03), HOMA-IR (p<0.06, p<0.03) and insulin-glucose ratios (p<0.006, p<0.06) when compared to low aldosterone counterparts. All associations remained significant when adjusted for potential confounders. <b>Conclusions</b>: This study demonstrates a novel direct relationship between aldosterone status and insulin resistance in heart failure. This observation merits further study and may identify an additional mechanism that contributes to the adverse clinical outcome associated with aldosterone escape

Stark shift and electric-field-induced dissociation of excitons in monolayer MoS2 and hBN/MoS2 heterostructures

Efficient conversion of photons into electrical current in two-dimensional semiconductors requires, as a first step, the dissociation of the strongly bound excitons into free electrons and holes. Here we calculate the dissociation rates and energy shift of excitons in monolayer MoS2 as a function of an applied in-plane electric field. The dissociation rates are obtained as the inverse lifetime of the resonant states of a two-dimensional hydrogenic Hamiltonian which describes the exciton within the Mott-Wannier model. The resonances are computed using complex scaling, and the effective masses and screened electron-hole interaction defining the hydrogenic Hamiltonian are computed from first principles. For field strengths above 0.1 V/nm the dissociation lifetime is shorter than 1 ps, which is below the lifetime associated with competing decay mechanisms. Interestingly, encapsulation of the MoS2 layer in just two layers of hexagonal boron nitride (hBN), enhances the dissociation rate by around one order of magnitude due to the increased screening. This shows that dielectric engineering is an effective way to control exciton lifetimes in two-dimensional materials

Sc substitution for Mg in MgB2: effects on Tc and Kohn anomaly

Here we report synthesis and characterization of Mg_{1-x}Sc_{x}B_{2} (0.12T_{c}>6 K. We find that the Sc doping moves the chemical potential through the 2D/3D electronic topological transition (ETT) in the sigma band where the ``shape resonance" of interband pairing occurs. In the 3D regime beyond the ETT we observe a hardening of the E_{2g} Raman mode with a significant line-width narrowing due to suppression of the Kohn anomaly over the range 0<q<2k_{F}.Comment: 8 pages, 4 EPS figures, to be published in Phys. Rev.

Cavity Control of Excitons in Two-Dimensional Materials

We propose a robust and efficient way of controlling the optical spectra of two-dimensional materials and van der Waals heterostructures by quantum cavity embedding. The cavity light-matter coupling leads to the formation of exciton-polaritons, a superposition of photons and excitons. Our first-principles study demonstrates a reordering and mixing of bright and dark excitons spectral features and in the case of a type II van-der-Waals heterostructure an inversion of intra- and interlayer excitonic resonances. We further show that the cavity light-matter coupling strongly depends on the dielectric environment and can be controlled by encapsulating the active two-dimensional (2D) crystal in another dielectric material. Our theoretical calculations are based on a newly developed nonperturbative many-body framework to solve the coupled electron-photon Schrödinger equation in a quantum-electrodynamical extension of the Bethe-Salpeter approach. This approach enables the ab initio simulations of exciton-polariton states and their dispersion from weak to strong cavity light-matter coupling regimes. Our method is then extended to treat van der Waals heterostructures and encapsulated 2D materials using a simplified Mott-Wannier description of the excitons that can be applied to very large systems beyond reach for fully ab initio approaches

Nonlinear substructuring in the modal domain: numerical validation and experimental verification in presence of localized nonlinearities

In many systems of interest, most of the structure is well approximated as linear but some parts must be treated as nonlinear to get accurate response predictions: significant nonlinear effects are due to the connections between coupled subsystems, such as in automotive or aerospace structures. The present work aims at predicting the nonlinear behavior of coupled systems using a substructuring technique in the modal domain. This study focuses on the effects of nonlinear connections on the dynamics of an assembly in which the coupled subsystems can be considered as linear. Each connection is instead considered as a quasi-linear substructure with stiffness that is function of amplitude or energy. The iterative procedure used here is enhanced with respect to previous works by enforcing a better control of the total energy at each iteration allowing to obtain the solution for a prescribed set of energy levels. Also, the initial guess and the convergence criterion have been modified to speed up the procedure. This technique is applied to a system made of two continuous linear subsystems coupled by nonlinear connections. The numerical results of the coupling are first compared to the ones obtained by using the Harmonic Balance technique on the model of the complete assembly to evaluate its effectiveness and understand the effects of modal truncation. Besides, a nonlinear connecting element, specifically designed in order to have a nearly cubic hardening behavior, is used in an experimental setup. Substructuring results are compared to experimental results measured on the assembled system, in order to evaluate the correlation between mode shapes and the accuracy in the resonance frequency at several excitation levels

Global and regional IUCN red list assessments: 5

In this contribution, the conservation status of four vascular plants according to IUCN categories and criteria are presented. It includes the assessment of Arceuthobium oxycedri (DC.) M.Bieb., Ionopsidium albiflorum Durieu, Trifolium latinum Sebast., and Vicia incisa M.Bieb. at a Regional level (Italy)