Title of article :
Electron momentum density distribution in TiCu
Author/Authors :
Sharma، نويسنده , , G. and Sharma، نويسنده , , V. and Mishra، نويسنده , , M.C. and Dhaka، نويسنده , , M.S. and Sharma، نويسنده , , B.K.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
Abstract :
The electron momentum density distribution in intermetallic TiCu is measured and compared with calculations based on linear combination of atomic orbitals (LCAO) and spin polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR) methods. The spherically averaged theoretical Compton profiles are in good agreement with the measurement. The better agreement is, however, shown by the SPR-KKR method. To investigate the bonding mechanism in the alloy, the density of states has also been determined from SPR-KKR method.
Keywords :
B. Electronic structures of metals and alloys , A. Intermetallics , E. Electronic structure calculation , F. Non destructive evaluation
Journal title :
Intermetallics
Journal title :
Intermetallics