NUCLEAR-MAGNETIC-RESONANCE STUDY OF THE ELECTRONIC-STRUCTURE AND HYDROGEN MOTION IN THE RANDOM BCC-TAV2-H(D) SYSTEM

被引:11
作者
SKRIPOV, AV [1 ]
BELYAEV, MY [1 ]
STEPANOV, AP [1 ]
PADURETS, LN [1 ]
SOKOLOVA, EI [1 ]
机构
[1] RUSSIAN ACAD SCI,INST GEN & INORGAN CHEM,MOSCOW 117907,RUSSIA
关键词
D O I
10.1016/0925-8388(93)90395-4
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Nuclear magnetic resonance measurements of the H-1, 2D and V-51 spin-lattice relaxation times and Knight shifts in the random b.c.c.-TaV2Hx(Dx) system (0.1 less-than-or-equal-to x less-than-or-equal-to 2.4) have been performed over the temperature range 11-440 K. The relaxation data are analysed to obtain the parameters of H(D) diffusion, which is governed by a distribution of activation energies. The long-range diffusion of H(D) in b.c.c.-TaV2Hx(Dx) is found to be much faster than in C15-type TaV2Hx(Dx) with comparable H(D) contents. For all the studied samples (including those with mixed isotope composition) there is a distinct isotope effect on the average activation energy: EBAR(a)D > E(a)H. The measured values of the Knight shifts and the electronic (Korringa) contributions to the spin-lattice relaxation rates indicate that the density of d-electron states at the Fermi level decreases with increasing H(D) content.
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页码:171 / 179
页数:9
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