Theoretical study of the electronic states of hollandite vanadate K 2V8O16

Electronic states of hollandite vanadate K2V8O 16, a one-dimensional zigzag-chain system of t2g orbitals in a mixed valent state, are considered. We calculate the Madelung energies to determine the most stable charge-ordering pattern that is consistent with the observed superlattice structure. We then develop the strong-coupling perturbation theory to derive the effective spin-orbit Hamiltonian, starting from the triply-degenerate t2g orbitals in the VO6 octahedral structure. An exact-diagonalization technique is used on small clusters of this Hamiltonian to determine the orbital-ordering pattern and spin structures in the ground state. We thereby discuss the electronic and magnetic properties of K2 V8O16. © 2009 IOP Publishing Ltd.Ministry of Education, Culture, Sports, Science and Technology of Japan/18028008Ministry of Education, Culture, Sports, Science and Technology of Japan/18043006Ministry of Education, Culture, Sports, Science and Technology of Japan/185400338Ministry of Education, Culture, Sports, Science and Technology of Japan/19014004JSPS Research Fellowship for Young Scientist

Rock-salt SnS and SnSe: Native Topological Crystalline Insulators

Unlike time-reversal topological insulators, surface metallic states with Dirac cone dispersion in the recently discovered topological crystalline insulators (TCIs) are protected by crystal symmetry. To date, TCI behaviors have been observed in SnTe and the related alloys Pb$_{1-x}$Sn$_{x}$Se/Te, which incorporate heavy elements with large spin-orbit coupling (SOC). Here, by combining first-principles and {\it ab initio} tight-binding calculations, we report the formation of a TCI in the relatively lighter rock-salt SnS and SnSe. This TCI is characterized by an even number of Dirac cones at the high-symmetry (001), (110) and (111) surfaces, which are protected by the reflection symmetry with respect to the ($\bar{1}$10) mirror plane. We find that both SnS and SnSe have an intrinsically inverted band structure and the SOC is necessary only to open the bulk band gap. The bulk band gap evolution upon volume expansion reveals a topological transition from an ambient pressure TCI to a topologically trivial insulator. Our results indicate that the SOC alone is not sufficient to drive the topological transition.Comment: 5 pages, 5 figure

An integrated model for the assessment of global water resources ? Part 2: Anthropogenic activities modules and assessments

International audienceTo assess global water resources from the perspective of subannual variation in water resources and water use, an integrated water resources model was developed. In a companion report, we presented the global meteorological forcing input used to drive the model and two natural hydrological cycle modules, namely, the land surface hydrology module and the river routing module. Here, we present the remaining four modules, which represent anthropogenic activities: a crop growth module, a reservoir operation module, an environmental flow requirement module, and an anthropogenic withdrawal module. In addition, we discuss the results of a global water resources assessment using the integrated model. The crop growth module is a relatively simple model based on heat unit theory and potential biomass and harvest index concepts. The performance of the crop growth module was examined extensively because agricultural water comprises approximately 70% of total water withdrawal in the world. The estimated crop calendar showed good agreement with earlier reports for wheat, maize, and rice in major countries of production. The estimated irrigation water withdrawal also showed fair agreement with country statistics, but tended to underestimate countries in the Asian monsoon region. In the reservoir operation module, 452 major reservoirs with more than 1 km³ each of storage capacity store and release water according to their own rules of operation. Operating rules were determined for each reservoir using an algorithm that used currently available global data such as reservoir storage capacity, intended purposes, simulated inflow, and water demand in the lower reaches. The environmental flow requirement module was newly developed based on case studies from around the world. The integrated model closes both energy and water balances on land surfaces. Global water resources were assessed on a subannual basis using a newly devised index that locates water-stressed regions that were undetected in earlier studies. These regions, which are indicated by a gap in the subannual distribution of water resources and water use, include the Sahel, the Asian monsoon region, and southern Africa. The integrated model is applicable to assess various global environmental projections such as climate change

Disorder and superconductivity in doped semiconductor nanotubes

Finite-size systems of the one-dimensional attractive Hubbard model with random potential are studied as an effective model for doped semiconductor nanotubes. We calculate the binding energy of Cooper pairs and pair correlation function by the density-matrix renormalization group method. We show that, when the scattering potential is strong, there appears the ground state where Cooper pairs are formed but are localized spatially, with a decay length of pair correlation smaller than the system size. Experimental relevance is discussed. © 2009 IOP Publishing Ltd.JSPS Research Fellowship for Young ScientistsMinistry of Education, Science, Sports and Culture of Japa

High statistics calculations of quenched QCD spectrum using various quark sources

We present the results for the hadron spectrum calculated on 400 configurations using point source, wall source and 8-cubic sources, in quenched QCD with Wilson fermions at $\beta=6.0$ and $K=0.155$ on a $24^3 \times 54$ lattice. The results for the ground state masses obtained with three types of quark sources agree well with each other. Masses of the first excited states appear consistent with experimental values within large errors.Comment: 3 pages, 2 postscript figures, to appear in the Proceedings of LATTICE 93, Dallas, USA; preprint UTHEP-26

Diamond-shaped quantum circuit for real-time quantum dynamics in one dimension

In recent years, quantum computing has evolved as an exciting frontier, with the development of numerous algorithms dedicated to constructing quantum circuits that adeptly represent quantum many-body states. However, this domain remains in its early stages and requires further refinement to understand better the effective construction of highly-entangled quantum states within quantum circuits. Here, we demonstrate that quantum many-body states can be universally represented using a quantum circuit comprising multi-qubit gates. Furthermore, we evaluate the efficiency of a quantum circuit constructed with two-qubit gates in quench dynamics for the transverse-field Ising model. In this specific model, despite the initial state being classical without entanglement, it undergoes long-time evolution, eventually leading to a highly-entangled quantum state. Our results reveal that a diamond-shaped quantum circuit, designed to approximate the multi-qubit gate-based quantum circuit, remarkably excels in accurately representing the long-time dynamics of the system. Moreover, the diamond-shaped circuit follows the volume law behavior in entanglement entropy, offering a significant advantage over alternative quantum circuit constructions employing two-qubit gates.Comment: 15 pages, 13 figure

Weak formulation for singular diffusion equation with dynamic boundary condition

In this paper, we propose a weak formulation of the singular diffusion equation subject to the dynamic boundary condition. The weak formulation is based on a reformulation method by an evolution equation including the subdifferential of a governing convex energy. Under suitable assumptions, the principal results of this study are stated in forms of Main Theorems A and B, which are respectively to verify: the adequacy of the weak formulation; the common property between the weak solutions and those in regular problems of standard PDEs.Comment: 23 page