A Study on the Electron Momentum Densities in Copper and Copper Alloy

Abstract

光子의 Compton profile을 計算하여 Cu 및 Cu?? Ni?? 合金의 電子運動量 密度를 硏究하였다. Hartree-Fock-Slater 電子波動函數를 利用하여 電子運動量函數와 동경密度分布를 計算하고 이들을 利用하여 Compton Profile을 計算하였다. 本 硏究는 Compton Frofile이 各電子軌道의 電子運動量密度에 따라 그 기울기가 變하고 있음을 보여 주었다. 또한 Compton Profile의 웃部分은 電子軌道의 最外각 軌道電子의 運動量密度에 크게 依存되고 있음을 보여 주었다. 따라서 이 Compton Profile의 웃部分이 適當한 分解能의 實驗으로서 測定될 때 化學 및 物理的으로 가장 關心이 많은 物質內 最外각電子의 運動狀態가 硏究될 수 있음을 暗示하여 주고 있다.

The electron momentum densities of Cu and Cu?? Ni?? alloy have been studied through the calculation of the Compton profile of photon. The Hartree-Fock-Slater electronic wave functions were used to calculate the electron momentum wave functions, the radial density distributions, and then the Compton profiles. It was shown that the Compton profiles have some rather discontinuous changes in the slopes due to the contributions from momentum densities of the electronic shells. It was also shown that the top of the Compton profiles was mainly governed by the momentum densities of the outermost electrons. It was suggested here that the electron behaviour of the outermost electrons in matter, which is of most physical and chemical interest, can be studied, under proper experimental resolution, by measurement of the line shape of the top of peak of the Compton profile.

The electron momentum densities of Cu and Cu?? Ni?? alloy have been studied through the calculation of the Compton profile of photon. The Hartree-Fock-Slater electronic wave functions were used to calculate the electron momentum wave functions, the radial density distributions, and then the Compton profiles. It was shown that the Compton profiles have some rather discontinuous changes in the slopes due to the contributions from momentum densities of the electronic shells. It was also shown that the top of the Compton profiles was mainly governed by the momentum densities of the outermost electrons. It was suggested here that the electron behaviour of the outermost electrons in matter, which is of most physical and chemical interest, can be studied, under proper experimental resolution, by measurement of the line shape of the top of peak of the Compton profile.