Title of article :
Hartree–Fock calculation of BaF2:La systems
Author/Authors :
Sobolev، نويسنده , , A.B and Kuznetsov، نويسنده , , A.Yu and Andriessen، نويسنده , , J and van Eijk، نويسنده , , C.W.E، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Abstract :
We present the results of an investigation of the electron structures of BaF2, LaF3 and BaF2:La crystals. The effects of lattice polarization and relaxation were considered. The calculations were performed using the Crystal98 code, the molecular statics method and the embedded cluster technique based on the Johnsonʹs scattered wave method.
Keywords :
Defects , Relaxation , Electronic structure
Journal title :
Nuclear Instruments and Methods in Physics Research Section A
Journal title :
Nuclear Instruments and Methods in Physics Research Section A
