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Relativistic effects on the structural and magnetic properties of iron

✍ Scribed by G.Y. Guo; H. Ebert; W.M. Temmerman; K. Schwarz; P. Blaha

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
279 KB
Volume
79
Category
Article
ISSN
0038-1098

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The body-centered cubic᎐face-centered cubic bcc᎐fcc structural phase Ž . stability of molybdenum Mo is studied as a function of volume with both nonrelativistic and scalar-relativistic linear combinations of Gaussian-type orbitals᎐fitting functions Ž . LCGTO᎐FF calculations. It is demonstrated that