Mechanism of Magnetism in Stacked Nanographite: Theoretical Study

Antiferromagnetism in stacked nanographite is investigated with using the Hubbard-type model. The A-B stacking is favorable for the hexagonal nanographite with zigzag edges, in order that magnetism appears. Next, we find that the open shell electronic structures can be origins of the decreasing magnetic moment with the decrease of the inter-graphene distance, as experiments on adsorption of molecules suggest.Comment: 4 pages, 3 figure

Mechanism of magnetism in stacked nanographite: Theoretical study

Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions. We theoretically investigate stacking effects in the zigzag nanographite sheets by using a tight binding model with the Hubbard-like onsite interactions. We find a remarkable difference in the magnetic properties between the simple A-A and A-B type stackings. For the simple stacking, there are not magnetic solutions. For the A-B stacking, we find antiferromagnetic solutions for strong onsite repulsions. The local magnetic moments tend to exist at the edge sites in each layer due to the large amplitude of wavefunctions at these sites. Relations with experiments are discussed.Comment: PACS numbers: 75.30.-m, 75.70.Cn, 75.10.Lp, 75.40.Mg; E-mail: [email protected]; http://www.etl.go.jp/~harigaya/welcome_E.htm

Developing a Scale to Measure Sense of Resistance to Azatoi Behavior

The main purpose of the present study is to develop a scale measuring the sense of resistance to azatoi behavior in female Japanese university students. The participants in this study were 114 Japanese female university students and 18 items were rated. First, the factor structure of the Azatoi Behavior Resistance Scale (ABRS) was investigated using exploratory factor analysis. Then, the validity of the structure was examined using confirmatory factor analysis. The result of the analysis showed that the fit indices indicated the best fit for the four-factor model, and the four factors were gesture, physical contact, adjustment, and typical behavior

Pre-migration tuberculosis screening - do be aware that the first step is always the hardest.

As the proportion of foreign-born persons among TB notifications continues to rise, Japan is preparing to introduce pre-migration TB screening for those coming from selected countries, who are intending to stay for more than 90 days. It has announced that the programme will commence in 2020. In this review, the authors examine the experiences from two countries which already have years of experience in operating pre-migration TB screening, namely the United Kingdom and Australia. The authors point out that both countries have developed strong health information system not only to collect and analyse screening results, but also to use the data to effectively monitor and evaluate the screening programme itself. The critical role which health information system plays within pre-migration screening is often overlooked. Here we argue that Japan, as with any other countries planning to introduce pre-migration screening for TB, must also plan for data management

An efficient computational method for the implementation of a semi-classical instanton approach using discretized path integrals

In the present paper, a numerical method for a semi-classical instanton method was examined. We implemented the instanton approach using discretized path integrals. The computational accuracy of the method is controlled by the following two parameters: the imaginary time duration (τ) and the time increment (Δτ), which represents the discretized path integral. To obtain accurate results, a long τ must be used in combination with a short Δτ; however, because the computational cost is virtually proportional to τ/Δτ, the instanton calculations were computationally expensive under these conditions. In the present study, we propose a method that reduces the computational cost and represents long τ instanton trajectories by employing an extended instanton trajectory from calculations based on a short τ. We applied the method to calculate tunnel splitting in a HO2 hydrogen transfer reaction using the double many-body extension IV potential as a validation

Variational path integral molecular dynamics and hybrid Monte Carlo algorithms

In the present study, variational path integral molecular dynamics and associated hybrid Monte Carlo (HMC) methods have been developed on the basis of a fourth order approximation of a density operator. To reveal various parameter dependence of physical quantities, we analytically solve one dimensional harmonic oscillators by the variational path integral; as a byproduct, we obtain the analytical expression of the discretized density matrix using the fourth order approximation for the oscillators. Then, we apply our methods to realistic systems like a water molecule and a para-hydrogen cluster. In the HMC, we adopt two level description to avoid the time consuming Hessian evaluation. For the systems examined in this paper, the HMC method is found to be about three times more efficient than the molecular dynamics method if appropriate HMC parameters are adopted; the advantage of the HMC method is suggested to be more evident for systems described by many body interaction. © 2016 Author(s).after 12 months embarg

Mechanism of magnetism in stacked nanographite with open shell electrons

Antiferromagnetism in stacked nanographite is investigated with using the Hubbard-type models. The A-B stacking or the stacking near to that of A-B type is favorable for the hexagonal nanographite with zigzag edges, in order that magnetism appears. Next, we find that the open shell electronic structure can be an origin of the decreasing magnetic moment with the decrease of the inter-graphene distance, as experiments on adsorption of molecules suggest.Comment: 13 pages; Harigaya's Web site: http://staff.aist.go.jp/k.harigaya/welcome_E.html; Nanotech. Inst. of AIST: http://unit.aist.go.jp/nanotech

DIFFERENCES IN IMPRESSION EVALUATIONS BETWEEN PHOTOGRAPHIC AND ACTUAL CAFÉ FACADES : FOCUSED ON EASE OF ENTERING CAFÉ

Café facades include various elements, such as shape, material, and composition, and the combination of these elements influence visitor impressions. One of the most important requirements in café planning is that the façade appears approachable and attractive. The importance of "ease of entering" remains unclear, however. Photographs of cafés are shown on websites and in magazines, and these photographs sometimes give readers different impressions than visiting the actual cafés. Some visitors are disappointed at the gap between the impression they got from the photograph and that of the actual café façade. This arises because much more information about the actual atmosphere can be gathered when a café is visited in person. In this context, we conducted impression evaluation experiments on photographic and actual café facades using semantic differential techniques in order to identify the elements that influence the ease of entering