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19982007
most citedEfficient formalism for large scale ab initio molecular dynamics based on time-dependent density functional theory

128 citations · 253 across the 4 of their papers we have counts for

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cond-mat2002

Phase diagram and influence of defects in the double perovskites

J. L. Alonso, L. A. Fernandez, F. Guinea +2

The phase diagram of the double perovskites of the type Sr_{2-x} La_x Fe Mo O_6 is analyzed, with and without disorder due to antisites. In addition to an homogeneous half metallic…