Exploring Topological Phases With Quantum Walks

The quantum walk was originally proposed as a quantum mechanical analogue of the classical random walk, and has since become a powerful tool in quantum information science. In this paper, we show that discrete time quantum walks provide a versatile platform for studying topological phases, which are currently the subject of intense theoretical and experimental investigation. In particular, we demonstrate that recent experimental realizations of quantum walks simulate a non-trivial one dimensional topological phase. With simple modifications, the quantum walk can be engineered to realize all of the topological phases which have been classified in one and two dimensions. We further discuss the existence of robust edge modes at phase boundaries, which provide experimental signatures for the non-trivial topological character of the system

Discovering new two-dimensional topological insulators from computational screening

We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full \textit{ab initio} scheme for calculating hybrid Wannier functions directly from the Kohn-Sham orbitals has been implemented and the method was used to extract $\mathbb{Z}_2$ indices, Chern numbers and Mirror Chern numbers of 3331 2D systems including both experimentally known and hypothetical 2D materials. We have found a total of 46 quantum spin Hall insulators, 7 quantum anomalous Hall insulators and 9 crystalline topological insulators that are all predicted to be dynamically stable. Roughly one third of these were known prior to the screening. The most interesting of the novel topological insulators are investigated in more detail. We show that the calculated topological indices of the quantum anomalous Hall insulators are highly sensitive to the approximation used for the exchange-correlation functional and reliable predictions of the topological properties of these materials thus require methods beyond density functional theory. We also performed $GW$ calculations, which yield a gap of 0.65 eV for the quantum spin Hall insulator PdSe$_2$ in the MoS$_2$ crystal structure. This is significantly higher than any known 2D topological insulator and three times larger than the Kohn-Sham gap.Comment: 12 page

Phase sensitive measurements of order parameters for ultracold atoms through two particles interferometry

Nontrivial symmetry of order parameters is crucial in some of the most interesting quantum many-body states of ultracold atoms and condensed matter systems. Examples in cold atoms include p-wave Feshbach molecules and d-wave paired states of fermions that could be realized in optical lattices in the Hubbard regime. Identifying these states in experiments requires measurements of the relative phase of different components of the entangled pair wavefunction. We propose and discuss two schemes for such phase sensitive measurements, based on two-particle interference revealed in atom-atom or atomic density correlations. Our schemes can also be used for relative phase measurements for non-trivial particle-hole order parameters, such as d-density wave order.Comment: 4 pages, 4 figure

Parametrizations of triaxial deformation and E2 transitions of the wobbling band

By the very definition the triaxial deformation parameter $\gamma$ is related to the expectation values of the K=0 and K=2 components of the intrinsic quadrupole tensor operator. On the other hand, using the same symbol "$\gamma$", various different parametrizations of triaxial deformation have been employed, which are suitable for various types of the mean-field potentials. It is pointed out that the values of various "$\gamma$" are quite different for the same actual triaxial deformation, especially for the large deformation; for example, the difference can be almost a factor two for the case of the triaxial superdeformed bands recently observed in the Hf and Lu nuclei. In our previous work, we have studied the wobbling band in Lu nuclei by using the microscopic framework of the cranked Nilsson mean-field and the random phase approximation, where the most serious problem is that the calculated B(E2) value is about factor two smaller. It is shown that the origin of this underestimation can be mainly attributed to the small triaxial deformation; if is used the same triaxial deformation as in the analysis of the particle-rotor model, the calculated B(E2) increases and gives correct magnitude compared with the experimental data.Comment: 10 pages, 9 figure

Electronic-Structure-Driven Magnetic Ordering in a Kondo Semiconductor CeOs2Al10

We report the anisotropic changes in the electronic structure of a Kondo semiconductor CeOs$_2$Al$_{10}$ across an anomalous antiferromagnetic ordering temperature ($T_0$) of 29 K, using optical conductivity spectra. The spectra along the $a$- and $c$-axes indicate that a $c$-$f$ hybridization gap emerges from a higher temperature continuously across $T_0$. Along the b-axis, on the other hand, a different energy gap with a peak at 20 meV appears below 39 K, which is higher temperature than $T_0$, because of structural distortion. The onset of the energy gap becomes visible below $T_0$. Our observation reveals that the electronic structure as well as the energy gap opening along the b-axis due to the structural distortion induces antiferromagnetic ordering below $T_0$.Comment: 4 pages, 4 figure

Combined theoretical and experimental approaches for development of squaraine dyes with small energy barrier for electron injection

A series of far-red sensitizing squaraine dyes has been systematically designed and synthesized in order to correlate the theoretically calculated values with their corresponding experimental parameters. Efforts have been directed towards determining the minimum thermodynamic energy barrier for the electron injection in the nanoporous TiO2 by logical molecular design. Theoretical calculations using Gaussian program package were performed for ground and excited states in both of the isolated gaseous state as well as in solution including the solvent effect using a self-consistent reaction field polarizable continuum model (PCM). Implementation of the PCM model or use of LSDA functional under TD-DFT calculations gives much better results for energetics as well as absorption maximum for all of the sensitizers used in this work. Newly designed symmetrical squaraine dye SQ-5 exhibits a minimum energy barrier of 0.16 eV for electron injection and shows photon harvesting behavior in far-red region with external photoconversion efficiency of 2.02% under simulated solar irradiation

Neurite imaging reveals microstructural variations in human cerebral cortical gray matter

We present distinct patterns of neurite distribution in the human cerebral cortex using diffusion magnetic resonance imaging (MRI). We analyzed both high-resolution structural (T1w and T2w images) and diffusion MRI data in 505 subjects from the Human Connectome Project. Neurite distributions were evaluated using the neurite orientation dispersion and density imaging (NODDI) model, optimized for gray matter, and mapped onto the cortical surface using a method weighted towards the cortical mid-thickness to reduce partial volume effects. The estimated neurite density was high in both somatosensory and motor areas, early visual and auditory areas, and middle temporal area (MT), showing a strikingly similar distribution to myelin maps estimated from the T1w/T2w ratio. The estimated neurite orientation dispersion was particularly high in early sensory areas, which are known for dense tangential fibers and are classified as granular cortex by classical anatomists. Spatial gradients of these cortical neurite properties revealed transitions that colocalize with some areal boundaries in a recent multi-modal parcellation of the human cerebral cortex, providing mutually supportive evidence. Our findings indicate that analyzing the cortical gray matter neurite morphology using diffusion MRI and NODDI provides valuable information regarding cortical microstructure that is related to but complementary to myeloarchitecture