Electronic structure and magnetic properties of few-layer Cr2_2Ge2_2Te6_6: the key role of nonlocal electron-electron interaction effects

Atomically-thin magnetic crystals have been recently isolated experimentally, greatly expanding the family of two-dimensional materials. In this Article we present an extensive comparative analysis of the electronic and magnetic properties of ${\rm Cr}_2{\rm Ge}_2{\rm Te}_6$, based on density functional theory (DFT). We first show that the often-used ${\rm DFT}+U$ approaches fail in predicting the ground-state properties of this material in both its monolayer and bilayer forms, and even more spectacularly in its bulk form. In the latter case, the fundamental gap {\it decreases} by increasing the Hubbard-$U$ parameter, eventually leading to a metallic ground state for physically relevant values of $U$, in stark contrast with experimental data. On the contrary, the use of hybrid functionals, which naturally take into account nonlocal exchange interactions between all orbitals, yields good account of the available ARPES experimental data. We then calculate all the relevant exchange couplings (and the magneto-crystalline anisotropy energy) for monolayer, bilayer, and bulk ${\rm Cr}_2{\rm Ge}_2{\rm Te}_6$ with a hybrid functional, with super-cells containing up to $270$ atoms, commenting on existing calculations with much smaller super-cell sizes. In the case of bilayer ${\rm Cr}_2{\rm Ge}_2{\rm Te}_6$, we show that two distinct intra-layer second-neighbor exchange couplings emerge, a result which, to the best of our knowledge, has not been noticed in the literature.Comment: 13 pages, 6 figures, 3 table

DebtRank: A microscopic foundation for shock propagation

The DebtRank algorithm has been increasingly investigated as a method to estimate the impact of shocks in financial networks, as it overcomes the limitations of the traditional default-cascade approaches. Here we formulate a dynamical "microscopic" theory of instability for financial networks by iterating balance sheet identities of individual banks and by assuming a simple rule for the transfer of shocks from borrowers to lenders. By doing so, we generalise the DebtRank formulation, both providing an interpretation of the effective dynamics in terms of basic accounting principles and preventing the underestimation of losses on certain network topologies. Depending on the structure of the interbank leverage matrix the dynamics is either stable, in which case the asymptotic state can be computed analytically, or unstable, meaning that at least one bank will default. We apply this framework to a dataset of the top listed European banks in the period 2008 - 2013. We find that network effects can generate an amplification of exogenous shocks of a factor ranging between three (in normal periods) and six (during the crisis) when we stress the system with a 0.5% shock on external (i.e. non-interbank) assets for all banks.Comment: 10 pages, 2 figure

Devil's staircase phase diagram of the fractional quantum Hall effect in the thin-torus limit

After more than three decades the fractional quantum Hall effect still poses challenges to contemporary physics. Recent experiments point toward a fractal scenario for the Hall resistivity as a function of the magnetic field. Here, we consider the so-called thin-torus limit of the Hamiltonian describing interacting electrons in a strong magnetic field, restricted to the lowest Landau level, and we show that it can be mapped onto a one-dimensional lattice gas with repulsive interactions, with the magnetic field playing the role of a chemical potential. The statistical mechanics of such models leads to interpret the sequence of Hall plateaux as a fractal phase diagram, whose landscape shows a qualitative agreement with experiments.Comment: 5 pages main text, 11 pages supplementary, 2 figure

Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective

The diffusion of large databases collecting different kind of material properties from high-throughput density functional theory calculations has opened new paths in the study of materials science thanks to data mining and machine learning techniques. Phonon calculations have already been employed successfully to predict materials properties and interpret experimental data, e.g. phase stability, ferroelectricity and Raman spectra, so their availability for a large set of materials will further increase the analytical and predictive power at hand. Moving to a larger scale with density functional perturbation calculations, however, requires the presence of a robust framework to handle this challenging task. In light of this, we automatized the phonon calculation and applied the result to the analysis of the convergence trends for several materials. This allowed to identify and tackle some common problems emerging in this kind of simulations and to lay out the basis to obtain reliable phonon band structures from high-throughput calculations, as well as optimizing the approach to standard phonon simulations

A compact ultranarrow high-power laser system for experiments with 578nm Ytterbium clock transition

In this paper we present the realization of a compact, high-power laser system able to excite the Ytterbium clock transition at 578 nm. Starting from an external-cavity laser based on a quantum dot chip at 1156 nm with an intra-cavity electro-optic modulator, we were able to obtain up to 60 mW of visible light at 578 nm via frequency doubling. The laser is locked with a 500 kHz bandwidth to a ultra-low-expansion glass cavity stabilized at its zero coefficient of thermal expansion temperature through an original thermal insulation and correction system. This laser allowed the observation of the clock transition in fermionic $^{173}$Yb with a < 50 Hz linewidth over 5 minutes, limited only by a residual frequency drift of some 0.1 Hz/s