Title of article :
The electronic structure of grain boundaries in metals and alloys
Author/Authors :
Eremeev، نويسنده , , S.V. and Kulkova، نويسنده , , S.E. and Potapov، نويسنده , , P.L.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Abstract :
We study the electronic structure of Ni with Σ5 (2 1 0) and TiNi with Σ5 (3 1 0) tilt grain boundaries using the full-potential linearized augmented plane wave (FLAPW) method. The calculated electron energy loss spectra, as well as X-ray absorption and emission spectra in nickel and its alloy are analyzed in dependence on composition and structure.
Keywords :
Grain boundaries , Emission and absorption spectra simulation , electronic band structure
Journal title :
Computational Materials Science
Journal title :
Computational Materials Science
