Geçiş metali nanometallerin manyetizması

In this thesis we investigated structural, electronic and magnetic properties of 3d(light) transition metal (TM) atomic chains and Cr nanowires using first-principles pseudopotential plane wave calculations. Furthermore, we considered Cr nanowires, which have cross section comprising a few (4,5-9,12) atoms. Chromium nanowires are found to be in a local minimum in the Born-Oppenheimer surface and are ferrimagnetic metals. The type of coupling, as for ferromagnetic or antiferromagnetic, between neighboring Cr atoms depends on their interatomic distances. The spin-orbit coupling of finite chains are found to be negligibly small for finite molecules and Cr nanowires.