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Systematic Structure in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>K</mml:mi></mml:math>-Edge Photoabsorption Spectra of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>4</mml:mn><mml:mi>d</mml:mi></mml:math>Transition Metals: Theory

J. E. MüllerNordita, DK-2100 Copenhagen, DenmarkO. JepsenNordita, DK-2100 Copenhagen, DenmarkOle Kæseler AndersenNordita, DK-2100 Copenhagen, DenmarkJohn W. WilkinsNordita, DK-2100 Copenhagen, Denmark
1978lv
ABI

Abstract

The $K$-edge photoabsorption spectra of the $4d$ metals calculated by the linear augmented-plane-wave method yield good agreement with the measured data. The prominent systematic features of the spectra, most easily discussed in terms of the $l=1$ projected density of final states, are simply related to the underlying band structure. The results for Zr, Mo, Pd, and Ag are presented here.

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