Electronic structure of the B2TiFe (001) and (110) surfaces

Abstract

The electronic structure calculations of (001) and (110) surfaces for B2-TiFe alloy were performed using the full potential linearized augmented plane wave (FLAPW) method. The changes of electron properties at different surfaces in comparison with the bulk ground state are discussed. The p(1 x 1) ferromagnetic order is displayed in the case of Fe top layer with a magnetic moment of 2.266 mu (B). X-ray emission, absorption and electron energy loss spectra are also calculated. The influence of a surface on electron properties of TiFe is discussed.