In Fig. 1 we have interchanged by mistake x and y axis. This does not alter the discussion of our calculations made in the paper, but 4

Erratum 983

Erratum

L. A. Errico, G. Fabricius, and M. Rentería, FP-LAPW Study of the EFG at Impurity Sites in Oxides: Cd in Rutile T i 0

, 55a, 267-270 (2000).

In Fig. 1 we have interchanged by mistake x and y axis. This does not alter the discussion of our calculations made in the paper, but 4

row in Table 1 (that refers to calculations of other authors) suffers the same interchange in xx and yy components of V„ . Therefore, also the table and a sentence con- cerning comparison of both calculations have to be modified.

Corrected Figure 1:

• Titanium 0 1 O Cadmium

® Oxygen

Fig. 1. D o u b l e super-cell u s e d in the p r e s e n t w o r k (see text). V„ v a l u e s t h r o u g h o u t t h e article are r e f e r r e d to t h e principal axis s y s t e m i n d i c a t e d in this f i g u r e .

Corrected Table 1:

Table 1. E x p e r i m e n t a l and theoretical electric-field g r a d i e n t s f o r C d in T i 02 in u n i t s of 102 1 V / m2. T h e sign and directions of the e x p e r i m e n t a l v a l u e s are u n k n o w n , eq d e n o t e s the c o m p o n e n t of m a j o r absolute value.

V j y Vzz eq

ri

E x p e r i m e n t [13]

[14]

5 . 2 3 (5) 5.76 (2)

0 . 1 8 ( 1 ) 0 . 1 8 ( 1 ) F P - L A P W

F r e e - r e l a x a t i o n - 3 . 0 + 5.0 - 2 . 0 + 5 . 0 0 . 2 M u f f i n - t i n [5]

Isotropic relax. + 3.56 + 1.54 - 5 . 0 9 - 5 . 0 9 0 . 3 9 F P - L A P W

Isotropic relax. + 3.6 + 1.1 - 4 . 7 - 4 . 7 0.5

Corrected Paragraph of lines 7-12,2

column, page 270:

In this case we obtained very similar values for all the V„ components of the EFG than they did (see Table 1), confirming that the different predictions made by the two approaches are due to the different relaxation proposed.

The different methods employed to compute electronic structure produce no significant differences in the results.

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