FIRST-PRINCIPLE BAND CALCULATION OF FESI UNDER MEGAGAUSS FIELD

The band structure of FeSi has been studied by the ab initio full-pote ntial LMTO-PW including the applied field explicitly. From these calcu lation, the first-order metamagnetic transition to the metallic magnet ic state at the critical magnetic field of about B-cr = 170 T has been found. A large step-like magnetization induces a magnetic moment of 0 .7 mu(B)/cell. The hysteresis effect, which was found for the first ti me, is also discussed. (C) 1998 Elsevier Science B.V. All rights reser ved.