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首页> 外文期刊>Indian Journal of Chemistry, Section A. Inorganic, Physical, Theoretical & Analytical >Structure and vanadium 3d~1 polaron dynamics in the V_2O_5-P_2O_5-M_2O (M = Li, Na, K) glasses
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Structure and vanadium 3d~1 polaron dynamics in the V_2O_5-P_2O_5-M_2O (M = Li, Na, K) glasses

机译:V_2O_5-P_2O_5-M_2O(M = Li,Na,K)玻璃中的结构和钒3d〜1极化子动力学

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摘要

Studies on the V_2O_5-P_2O_5-M_2O (M = Li, Na, K) glasses show that the associated radii of vanadium 3d~1 small polaron on a V~(4+) site are nearly the same but slightly less than the modifier free galss. However, the average transition metal (TM) ion separation in the glasses are nearly the same as in the network modifier free glass. The calculated values of the magnitude of exchange integral for the glasses in the range 0.021-0.023 eV as compared with that of 0.04 eV of the network modifier free 70V_2O_5-30P_2O_5 glass by approximating unit lattice vector, a, by polaron radius r_p appears plausible. The g_iso-values at 300 K and 77 K, A_iso-values at 77 K and peak-to-peak linewidth, #DELTA#H, at 300 K are nearly same in the glasses. Howevery, the g_iso = values are less than that of 1.963 of the modifier free glass at 300 K. The values of Fermi contact term, #kappa# and #beta#_2~* the coefficient of vanadium 3d_xy orbital are also similar in the glasses. However, the fairly lower values of #kappa# as compared with the modifier free glass of 0.74 indicate s highly "squeezed" O-VO_4...O unit in the glasses.
机译:对V_2O_5-P_2O_5-M_2O(M = Li,Na,K)玻璃的研究表明,V〜(4+)位置上的钒3d〜1小极化子的相关半径几乎相同,但略小于不含修饰剂的钒加尔斯但是,玻璃中的平均过渡金属离子分离度几乎与无网络改性剂的玻璃相同。通过以极化子半径r_p近似单位晶格矢量a,与无网络调节剂的70V_2O_5-30P_2O_5玻璃的0.04 eV相比,在0.021-0.023 eV范围内的玻璃交换积分的计算值似乎是合理的。在眼镜中,在300 K和77 K时的g_iso值,在77 K时的A_iso值和在300 K时的峰峰线宽#DELTA#H几乎相同。但是,在300 K时,g_iso =值小于无改性剂玻璃的1.963。费米接触项,#kapp#和#beta#_2〜*钒3d_xy轨道系数在玻璃中的值也相似。然而,与不含改性剂的玻璃的0.74相比,#kapp#的值相当低,这表明该玻璃中有高度“压缩”的O-VO_4 ... O单元。

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