Compton profile and charge transfer study in intermetallic Ti–Al system

A study of electron momentum density in Ti_Al system.

“…All values are properly normalized to the number of electrons of the respective free atom Compton profiles in (0-7 a.u. ).The RFA Compton profile and experimental values [1] for Ti and Al are given in table (1) .In this table we compared our present work ( RFA of Ti and Al metals) with the experimental values [1] for the given metals, we found that our results are in good agreement with the experimental values [1], in considering that the plan wave generalized gradient Compton profile (J(p z ) PW-GGA ) values [1] are better than our present work compared with the experimental values [1]. The super position model of present work , free atom, free electron, J PW-GGA [1] and experimental results [1] for the TiAl , Ti 3 Al , TiAl 3 alloys are given in tables 1, 2 and 3 respectively, we compare the present work , free atom and free electron with the experimental values [1] for the three alloys.…”

“…The superposition theoretical profile ( 𝐽 𝑅𝐹𝐴 𝑠𝑢𝑝. ) is calculated from the RFA profile of Ti and Al metals (𝐽 𝑅𝐹𝐴 𝑇𝑖 and 𝐽 𝑅𝐹𝐴 𝐴𝑙 respectively) by using equation ( 12) also [1]. For the purpose of comparison we also took the superposition model for free atom and free electron for the Ti _ Al alloys.…”

“…The Ti_Al system has a special interest because of its properties. Ti_Al alloys have good oxidization resistance, low density, high elastic modulus and high melting degrees [1]. Ti_Al has three basic alloys i.e Ti_Al , Ti 3 _Al and Ti_Al 3 .…”

“…Ti_Al has three basic alloys i.e Ti_Al , Ti 3 _Al and Ti_Al 3 . In these required phases both of Ti_Al and Ti 3 _Al have been widely investigated, while that Ti_Al 3 alloy were less interested [1,2]. Most of the previous studies on the Ti_Al system included changes in structure, stability, electronic and elastic properties [3].…”

“…The lattice constants of Ti (fcc) and Al (fcc) are 4.15A ° and 4.05A ° respectively [7]. In this paper, we compared the results obtained by using RFA model ,free atom and free electron model with the experimental results obtained from the reference [1] and references mentioned there .…”