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    Ab initio study of the giant ferroelectric distortion and pressure induced spin-state transition in BiCoO3

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    Using configuration-state-constrained electronic structure calculations based on the generalized gradient approximation plus Hubbard U method, we sought the origin of the giant tetragonal ferroelectric distortion in the ambient phase of the potentially multiferroic material BiCoO3 and identified the nature of the pressure induced spin-state transition. Our results show that a strong Bi-O covalency drives the giant ferroelectric distortion, which is further stabilized by an xy-type orbital ordering of the high-spin (HS) Co3+ ions. For the orthorhombic phase under 5.8 GPa, we find that a mixed HS and low-spin (LS) state is more stable than both LS and intermediate-spin (IS) states, and that the former well accounts for the available experimental results. Thus, we identify that the pressure induced spin-state transition is via a mixed HS+LS state, and we predict that the HS-to-LS transition would be complete upon a large volume decrease of about 20%.Comment: 6 pages, 6 figures, 2 table

    DIFFERENCE OF HYDROSTATIC WEIGHTING AND SKINFOLD METHODS IN DETERMINATON OF BODY FAT IN CHINESE ADULTS

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    INTRODUCTION: Body fat content can be determined by Hydrostatic weighing method and skin fold measurement. The former is the most accurate and is thought as “golden Standard”, while the later is an easy and simple way. Measurement of body fat content using skin fold method is by calculation based on the measured skin fold. But the formulas used to calculate body fat content were developed based on the studies in foreigners. We hypothesized that there was significant difference in the body fat content of Chinese determined by hydrostatic weighing and skin fold methods in which the formula was from the studies in foreigners. The formula developed based on the study in foreigners might not be suitable in the determination of body fat content in Chinese
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