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Calculations of the total energy,electron-phonon interaction,and Stoner parameter for metals

M.M.Sigalas Ames 
 Laboratory, Department of Physicsand Astronomy ,Iowa State University, Ames, Iowa50011

D.A.Papaconstantopoulos 
Complex SystemsTheory Branch, Naval Research Laboratory,Washington,D.C.20375-5345

(Received7April1994)

Abstract

 
Using theaugmented-plane-wavemethod,weperformedtotal-energy calculations for all the metals crystallizing in the hcp structure and for all the Sd metals in the hcp structure. Also,using the predicted equilibrium lattice constants from our presentand previous total-energy calculations, we carried out band-structurecal culations that explore possibilities for superconductivity and magnetism in all the transition metals in the fcc,bcc,and hcp structures.

https://cos.gmu.edu/cds/wp-content/uploads/sites/25/2016/10/Papa_physrevb.50.7255.pdf 

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