Research Article

Electron Momentum Density and Phase Transition in ZnS

Table 1

The unconvoluted theoretical (DFT-PBE) and experiment Compton profiles of ZnS. All profiles are normalized at 20.24 electrons.

(a.u.) in e/a.u.
DFT-PBE Experiment
PresentEarlier [33]

0.0010.271
0.1010.2319.69110.112
0.2010.0669.5549.922
0.309.7019.3109.622
0.409.4418.9739.224
0.508.9368.5738.746
0.608.4168.1308.209
0.707.8027.6487.637
0.807.1597.1417.059
1.005.981
1.205.1115.4105.162
1.404.7144.7934.608
1.604.3114.3334.238
1.803.9533.9223.927
2.003.610
3.002.201
4.001.380 1.426
5.000.908
6.000.639 0.668
7.000.469 0.494