Thermochromic and opacity behaviors in vanadium dioxide nanofilms: a theoretical study

Vanadium dioxide nanofilms are one of the most essential materials in electronic applications like smart windows. Therefore, studying and understanding the optical properties of such films is crucial to modifying the parameters that control these properties. To this end, this work focuses on investigating the opacity as a function of the energy directed at the nanofilms with different thicknesses (1 – 100) nm. Effective mediator theories (EMTs), which are considered as the application of Bruggeman's formalism and the Looyenga mixing rule, have been used to estimate the dielectric constant of VO2 nanofilms. The results show different opacity behaviors at different wavelength ranges (ultraviolet, visible, and infrared). The results depict that the highest opacity of the insulating phase is achieved at the ultraviolet region and it reduces for the metal phase. Besides, the results demonstrate that the opacity possesses a redshift during the changes at the three phases. Regarding the infrared region, the lowest opacity value is achieved at the insulator phase and it increases to the highest value at the metal phase. In the visible region, the opacity behavior remains similar in the three phases. It is worth noting that the lowest opacity is found for thinner nanofilm. Since both the refractive index and the extinction index are among the most essential optical constants, hence, both of them were compared with the experiment results, and an excellent agreement is achieved between them.

Observation of Possible Nonlinear Anomalous Hall Effect in Organic Two-Dimensional Dirac Fermion System

We report the observation of nonlinear anomalous Hall effect (NLAHE) in the multilayered organic conductor α-(BEDT-TTF)2I3 in the charge order (CO) insulating phase just under the critical pressure for transition into two-dimensional (2D) massless Dirac fermion (DF) phase. We successfully extracted the finite nonlinear Hall voltage proportional to square current at zero magnetic field. The observed NLAHE features, current direction dependence and correlation with CO, are consistent with the previous estimation assuming 2D massive DF with a pair of tilted Dirac cones. This is the first observation of topological transport in organic conductors, and also the first example of NLAHE in the electronic phase with spontaneous symmetry breaking.

Common microscopic origin of the phase transitions in Ta2NiS5 and the excitonic insulator candidate Ta2NiSe5

The structural phase transition in Ta2NiSe5 has been envisioned as driven by the formation of an excitonic insulating phase. However, the role of structural and electronic instabilities on crystal symmetry breaking has yet to be disentangled. Meanwhile, the phase transition in its complementary material Ta2NiS5 does not show any experimental hints of an excitonic insulating phase. We present a microscopic investigation of the electronic and phononic effects involved in the structural phase transition in Ta2NiSe5 and Ta2NiS5 using extensive first-principles calculations. In both materials the crystal symmetries are broken by phonon instabilities, which in turn lead to changes in the electronic bandstructure also observed in the experiment. A total energy landscape analysis shows no tendency towards a purely electronic instability and we find that a sizeable lattice distortion is needed to open a bandgap. We conclude that an excitonic instability is not needed to explain the phase transition in both Ta2NiSe5 and Ta2NiS5.

Quantum cluster algorithm for data classification

We present a quantum algorithm for data classification based on the nearest-neighbor learning algorithm. The classification algorithm is divided into two steps: Firstly, data in the same class is divided into smaller groups with sublabels assisting building boundaries between data with different labels. Secondly we construct a quantum circuit for classification that contains multi control gates. The algorithm is easy to implement and efficient in predicting the labels of test data. To illustrate the power and efficiency of this approach, we construct the phase transition diagram for the metal-insulator transition of VO2, using limited trained experimental data, where VO2 is a typical strongly correlated electron materials, and the metallic-insulating phase transition has drawn much attention in condensed matter physics. Moreover, we demonstrate our algorithm on the classification of randomly generated data and the classification of entanglement for various Werner states, where the training sets can not be divided by a single curve, instead, more than one curves are required to separate them apart perfectly. Our preliminary result shows considerable potential for various classification problems, particularly for constructing different phases in materials.

Higher-order topological Mott insulator on the pyrochlore lattice

We provide the first unbiased evidence for a higher-order topological Mott insulator in three dimensions by numerically exact quantum Monte Carlo simulations. This insulating phase is adiabatically connected to a third-order topological insulator in the noninteracting limit, which features gapless modes around the corners of the pyrochlore lattice and is characterized by a $${\mathbb {Z}}_{4}$$ Z 4 spin-Berry phase. The difference between the correlated and non-correlated topological phases is that in the former phase the gapless corner modes emerge only in spin excitations being Mott-like. We also show that the topological phase transition from the third-order topological Mott insulator to the usual Mott insulator occurs when the bulk spin gap solely closes.

Ferromagnetism out of charge fluctuation of strongly correlated electrons in κ-(BEDT-TTF)2Hg(SCN)2Br

We perform magnetic susceptibility and magnetic torque measurements on the organic κ-(BEDT-TTF)2Hg(SCN)2Br, which is recently suggested to host an exotic quantum dipole-liquid in its low-temperature insulating phase. Below the metal-insulator (MI) transition temperature, the magnetic susceptibility follows a Curie–Weiss law with a positive Curie–Weiss temperature, and a particular $$M\propto \sqrt{H}$$ M ∝ H curve is observed. The emergent ferromagnetically interacting spins amount to about 1/6 of the full spin moment of localized charges. Taking account of the possible inhomogeneous quasi-charge-order that forms a dipole-liquid, we construct a model of antiferromagnetically interacting spin chains in two adjacent charge-ordered domains, which are coupled via fluctuating charges on a Mott-dimer at the boundary. We find that the charge fluctuations can draw a weak ferromagnetic moment out of the spin singlet domains.

Effective-Field Theory for Model High-Tc Cuprates

Starting with a minimal model for the CuO2 planes with the on-site Hilbert space reduced to only three effective valence centers [CuO4]7−,6−,5− (nominally Cu1+,2+,3+) with different conventional spin and different orbital symmetry, we propose a unified non-BCS model that allows one to describe the main features of the phase diagrams of doped cuprates within the framework of a simple effective field theory. Unconventional bosonic superconducting phase related with a two-particle quantum transport is shown to compete with antiferromagnetic insulating phase, charge order, and metallic Fermi liquid via phase separation regime.