Effect of electric field on diffusion in disordered materials
✍ Scribed by F. Jansson; A.V. Nenashev; S.D. Baranovskii; F. Gebhard; R. Österbacka
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 218 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0003-3804
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A recently published theory of electric field effects on electron spin w Ž .x resonance hyperfine couplings Phys. Ref. Lett. 79, 379, 1997 is extended to nuclear quadrupole coupling. With the use of the ab initio coupled Hartree᎐Fock approach and augmented Sadlej basis set, results are obtained for
Ab initio calculations are used to compute the change in the vibrational frequency of CN with an applied electric field aligned parallel to the bond axis. The effect of the field on the CN y vibrational frequency is of the same magnitude as for CN, but in the opposite direction. These results are co