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
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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