measuring-magnetically-tuned-ferroelectric-polarization-liquid

Measuring Magnetically-Tuned Ferroelectric Polarization in Liquid Crystals

Materials showing coupling phenomena between magnetism and (ferro)electricity, i.e., magnetoelectric effects, have attracted a great deal of attention due ...

University of Tokyo

Organic crystals are likely to have a large degree of structural relaxation near their surfaces because of the weak inter-molecular interactions. The design of organic field-effect transistors requires a detailed knowledge of the surface relaxation as the carriers usually transfer within the first few molecular layers at the semiconductor surfaces, and their transport properties reflect the structural changes through the transfer integral. Here, we report the direct observation of the surface relaxation of an organic semiconductor, a tetracene single crystal, by means of X-ray crystal truncation rod scattering measurements. A significant degree of surface relaxation is observed, taking place only in the first monolayer at the semiconductor surface. First principles calculations show that the resultant transfer integrals are completely different between the bulk and surface of the semiconductor. 

Large surface relaxation in the organic semiconductor tetracene.

Magnetoelectric properties are studied by a combined experimental and theoretical study of a quasi-two-dimensional material composed of square cupolas, Ba(TiO)Cu_{4}(PO_{4})_{4}. The magnetization is measured up to the field above the saturation, and several anomalies are observed depending on the field directions. We propose a S=1/2 spin model with Dzyaloshinskii-Moriya interactions, which reproduces the full magnetization curves well. Elaborating the phase diagram of the model, we show that the anomalies are explained by magnetoelectric phase transitions. Our theory also accounts for the scaling of the dielectric anomaly observed in the experiments. The results elucidate the crucial role of the in-plane component of Dzyaloshinskii-Moriya interactions, which is induced by the noncoplanar buckling of a square cupola. We also predict a "hidden" phase and another magnetoelectric response, both of which appear in a nonzero magnetic field.

Magnetoelectric Behavior from S=1/2 Asymmetric Square Cupolas.

Monte Carlo (MC)-based refinement software to analyze the atomic arrangements of perovskite oxide ultrathin films from the crystal truncation rod intensity is developed on the basis of Bayesian inference. The advantages of the MC approach are (i) it is applicable to multi-domain structures, (ii) it provides the posterior probability of structures through Bayes' theorem, which allows one to evaluate the uncertainty of estimated structural parameters, and (iii) one can involve any information provided by other experiments and theories. The simulated annealing procedure efficiently searches for the optimum model owing to its stochastic updates, regardless of the initial values, without being trapped by local optima. The performance of the software is examined with a five-unit-cell-thick LaAlO film fabricated on top of SrTiO. The software successfully found the global optima from an initial model prepared by a small grid search calculation. The standard deviations of the atomic positions derived from a dataset taken at a second-generation synchrotron are ±0.02 Å for metal sites and ±0.03 Å for oxygen sites.

Article	Year
Large surface relaxation in the organic semiconductor tetracene. Nature communications\| PubMed ID: 25377483	2014
Magnetoelectric Behavior from S=1/2 Asymmetric Square Cupolas. Physical review letters\| PubMed ID: 28339271	2017
Bayesian inference of metal oxide ultrathin film structure based on crystal truncation rod measurements. Journal of applied crystallography\| PubMed ID: 29217989	2017

Tsuyoshi Kimura

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