3 papers
cond-mat.mtrl-sci1998
Competition between Magnetic and Structural Transition in CrN
A. Filippetti, W. E. Pickett, B. M. Klein
CrN is observed to undergo a paramagnetic to antiferromagnetic transition accompanied by a shear distortion from cubic NaCl-type to orthorhombic structure. Our first-principle plan…
cond-mat.str-el1996
Reformulation of the LDA+U method for a local orbital basis
W. E. Pickett, S. C. Erwin, E. C. Ethridge
We present a new approach to the evaluation of the on-site repulsion energy U for use in the LDA+U method of Anisimov and collaborators. Our objectives are to make the method more…
mtrl-th1995
Metastability of NbN in the ordered vacancy NbO phase
E. C. Ethridge, S. C. Erwin, W. E. Pickett
A metastable phase of NbN with superconducting Tc=16.4 K was reported recently by Treece and collaborators. The reported structure of the thin film sample deviates from the rocksal…