THEORY OF THE ELECTRONIC AND MAGNETIC-STRUCTURE OF CERIUM PNICTIDES UNDER PRESSURE

The electronic structures of the cerium pnictides CeN, CeP, CeAs, CeSb and CeBi are calculated within the self-interaction corrected local-s pin density approximation. This method allows a description of the Ce f-electrons as either localized or delocalized. We find that the isost ructural phase transition in CeP is associated with the delocalization of the f-electron under pressure. Similar structural phase transition s in CeAs, CeSb and CeBi are also well described by this theory. Moreo ver, in agreement with recent experiments we obtain a very low carrier type-I antiferromagnetic groundstate for CeP and CeSb. (C) 1997 Elsev ier Science Ltd.