In situpressure study ofRb4C60insulator to metal transition by Compton scattering
| Autor: | Sohrab Rabii, Th. Buslaps, Massimiliano Marangolo, G. Loupias, Ch. Bellin, Amir Abbas Sabouri-Dodaran, Mohamed Mezouar, F. Rachdi |
|---|---|
| Rok vydání: | 2005 |
| Předmět: |
Materials science
Ab initio Compton scattering Synchrotron radiation 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials Ab initio quantum chemistry methods 0103 physical sciences Atomic physics Metal–insulator transition 010306 general physics 0210 nano-technology Electronic band structure Ground state Electronic density |
| Zdroj: | Physical Review B. 72 |
| ISSN: | 1550-235X 1098-0121 |
| DOI: | 10.1103/physrevb.72.085412 |
| Popis: | Compton scattering has been shown to be a powerful tool for studying the ground state electronic density in real materials. Using synchrotron radiation, we have studied pressure effects on Rb4C60 by measuring the Compton profiles below and above the insulator to metal transition at 0.8 GPa. The experimental results are compared with the corresponding calculated results, obtained from new ab initio energy band structure calculations. These results allow us to quantitatively evaluate contributions to the Compton profiles resulting from the contraction of the unit cell as well as from the contraction of the C60 molecule itself. In this paper, we point out an unexpected contraction of the volume of the C60 molecule, leading to a major effect on the electronic density of the Rb4C60 compound. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|