charge and spin density perturbation on iron nuclei by non-magnetic impurities

Charge and spin density perturbation on iron nuclei by non-magnetic impurities

substituted on the iron sites in -Fe

A. Błachowski 1, K. Ruebenbauer 1, J. Żukrowski 2, J. Przewoźnik 2

1 Mössbauer Spectroscopy Division, Institute of Physics, Pedagogical University, Kraków, Poland

2 Solid State Physics Department, Faculty of Physics and Applied Computer Science,

AGH University of Science and Technology, Kraków, Poland

Fe100-cXc

- arc melting- ingots ~1.5 g- rapid quench of the molten state- metastable state

Lattice constant a and half-width of the <110> Bragg reflex versus impurity concentration c

Fe1-cAucFe1-cOsc

Binomial distribution

10 c impurity concentration [at.%]

..., ,2 ,1s subsequent coordination shells around 57Fe

sn number of vortices in the s-th shell 12 , 6 , 8 321 nnn

ss nk ..., ,1 ,0 number of impurities in the s-th shell

)3 lub 2(

at.% 5c

Example

Fe100-cXc

Hyperfine fields and isomer shifts for particular configuration having the contribution

00 , SB hyperfine field and total shift for 57Fe atoms

surrounded entirely by Fe atoms up to the outermost shell

ss SB , contributions to the hyperfine field and isomer shift due to a single impurity atom located in the s-th shell

}){|( sskncC

Fe100-cGac

Fe100-cGac

Fe100-cIrc

Fe100-cIrc

[W] S.M. Dubiel, W. Zinn, Phys. Rev. B 30, 3783 (1984).[Re] S.M. Dubiel, J. Magn. Magn. Mater. 69, 206 (1987).[Pt] S.M. Dubiel, Phys. Rev. B 37, 1429 (1988).

Correlation between average hyperfine field change per at.% of impurity

and

average isomer shift change per at.% of impurity

. ]Δ[ δ , ]Δ[ δσ

1

2)(σ

1

2)(

s

css

cs BBSS

Spin- and charge density oscillations

Average perturbations and for Ru, Ir and Ga impurities versus relative distance from the 57Fe nucleus

csS )(csB )(

ar /