Can the crystal structure of metallic hydrogen be determined with x-ray diffraction?
(2019) FYSK02 20191Solid State Physics
Department of Physics
- Abstract (Swedish)
- A theoretical study is reported of metallic hydrogen in the molecular phase of Cmca-4 and the atomic phase of I4_1/amd at high pressure about 500 GPa. Using density functional theory (DFT) and more specifically the PBE exchange correlation functional as approximation scheme, the crystal structure of metallic hydrogen has been investigated. This to determine its metallic properties and see if the crystal structure can be determined with an x-ray diffraction experiment, by calculating and plot a diffraction pattern. Also to see how well the free electron gas model applies. The study leads to a fingerprint of metallic hydrogen, showing where to expect intensity peaks in an x-ray diffraction experiment.
Please use this url to cite or link to this publication:
http://lup.lub.lu.se/student-papers/record/8989976
- author
- Landgren, Filip
- supervisor
- organization
- course
- FYSK02 20191
- year
- 2019
- type
- M2 - Bachelor Degree
- subject
- language
- English
- id
- 8989976
- date added to LUP
- 2019-07-05 14:23:31
- date last changed
- 2021-05-20 19:10:54
@misc{8989976, abstract = {{A theoretical study is reported of metallic hydrogen in the molecular phase of Cmca-4 and the atomic phase of I4_1/amd at high pressure about 500 GPa. Using density functional theory (DFT) and more specifically the PBE exchange correlation functional as approximation scheme, the crystal structure of metallic hydrogen has been investigated. This to determine its metallic properties and see if the crystal structure can be determined with an x-ray diffraction experiment, by calculating and plot a diffraction pattern. Also to see how well the free electron gas model applies. The study leads to a fingerprint of metallic hydrogen, showing where to expect intensity peaks in an x-ray diffraction experiment.}}, author = {{Landgren, Filip}}, language = {{eng}}, note = {{Student Paper}}, title = {{Can the crystal structure of metallic hydrogen be determined with x-ray diffraction?}}, year = {{2019}}, }