The electronic structure and magnetic properties of various coherent modulated structures have been studied by means of self-consistent spin-polarized LMTO band calculations using large supercells to describe the structure. For CuNi, modulations along left bracket 111 right bracket and left bracket 100 right bracket were studied for different assumed wavelengths and supercells. In all cases, the calculated Ni moments are found to be reduced compared to fcc Ni. Adjacent Cu layers acquire small moments of varying direction and strength, indicating that the Cu and the wavelength as well as the s-electron moments might be important to mediate the coupling between separated Ni layers. To study effects of local distortions, such as shear and stretching, the magnetic moment in bulk Ni and magnetic susceptibility in Pd have been calculated for tetragonally distorted lattices.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physics and Astronomy (miscellaneous)