101,129 research outputs found

    The structural, mechanical, electronic, optical and thermodynamic properties of t-X3_{3}As4_{4} (X == Si, Ge and Sn) by first-principles calculations

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    The structural, mechanical, electronic, optical and thermodynamic properties of the t-X3_{\mathrm{3}}As4_{\mathrm{4}} (X == Si, Ge and Sn) with tetragonal structure have been investigated by first principles calculations. Our calculated results show that these compounds are mechanically and dynamically stable. By the study of elastic anisotropy, it is found that the anisotropic of the t-Sn3_{\mathrm{3}}As4_{\mathrm{4}} is stronger than that of t-Si3_{\mathrm{3}}As4_{\mathrm{4}} and t-Ge3_{\mathrm{3}}As4_{\mathrm{4}}. The band structures and density of states show that the t-X3_{\mathrm{3}}As4_{\mathrm{4}} (Si, Ge and Sn) are semiconductors with narrow band gaps. Based on the analyses of electron density difference, in t-X3_{\mathrm{3}}As4_{\mathrm{4}} As atoms get electrons, X atoms lose electrons. The calculated static dielectric constants, ε1(0)\varepsilon_{1} (0), are 15.5, 20.0 and 15.1 eV for t-X3_{\mathrm{3}}As4_{\mathrm{4}} (X == Si, Ge and Sn), respectively. The Dulong-Petit limit of t-X3_{\mathrm{3}}As4_{\mathrm{4}} is about 10 J mol1^{\mathrm{-1}}K1^{\mathrm{-1}}. The thermodynamic stability successively decreases from t-Si3_{\mathrm{3}}As4_{\mathrm{4}} to t-Ge3_{\mathrm{3}}As4_{\mathrm{4}} to t-Sn3_{\mathrm{3}}As4_{\mathrm{4}}.Comment: 14 pages, 10 figures, 6 table

    Influence of Potamogeton crispus growth on nutrients in the sediment and water of Lake Tangxunhu

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    An incubation experiment was performed on Potamogeton crispus (P. crispus) using sediment collected from Lake Tangxunhu in the center of China, in order to determine the effects of plant growth on Fe, Si, Cu, Zn, Mn, Mg, P, and Ca concentrations in the sediments and overlying waters. After 3 months of incubation, Ca, Mg, and Si concentrations in the water column were significantly lower, and P and Cu concentrations were significantly higher than in unplanted controls. The effect of P. crispus growth on sediment pore waters and water-extractable elements varied. Concentrations of Ca, Mg, Si, Fe, Cu, and Zn were significantly higher, and P was significantly lower, than in pore waters of the control. Water-extracted concentrations of Fe, Mg, and Si in the sediments were lower, and P was higher, than in the control. Presence of P. crispus generally enhanced concentration gradients of elements between pore waters and overlying waters but not for P. The growth of P. crispus was associated with an increase in water pH and formation of root plaques, resulting in complex effects on the sediment nutritional status
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