| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1516368 | Journal of Physics and Chemistry of Solids | 2011 | 4 Pages |
We present Compton profiles of the GdAl2 compound and its constituents using a 20Ci 137Cs Compton spectrometer. The experimental Compton data have been analysed using theoretical data obtained from the spin polarised relativistic Korringa–Kohn–Rostoker (SPR-KKR) method and also the charge transfer on the formation of the compound. Both the experimental and the SPR-KKR theoretical Compton data support a charge transfer from Al→Gd in GdAl2, which is in accordance with the conclusions drawn from the partial, total and integrated density of states of GdAl2 and its constituents.
► Measured first ever experimental Compton profile (CP) of GdAl2 and constituents. ► Computed momentum densities, energy bands and DOS using the SPR-KKR method. ► Experimental CP analysed in terms of SPR-KKR based band structure and DOS. ► Predicted charge transfer in GdAl2 using CPs, partial and integrated DOS. ► Presented a trend setting methodology for finding charge reorganisation in alloys.
