| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382394 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠For the rare silicide-carbide U3Si2C2, experimental data are best reproduced with GGA + U = 4 eV. ⺠High linear incompressibility along the c-axis is identified with Si-C alignment leading to anisotropy. ⺠Chemical bonding is specific of the uranium sites with dominant U1-Si and U2-C. ⺠Major Si-C bonding contributions characterize the compound.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![First principles investigations of the electronic structure and chemical bonding of U3Si2C2 - A uranium silicide-carbide with the rare [SiC] unit](/preview/png/5382394.png "First Page Preview: First principles investigations of the electronic structure and chemical bonding of U3Si2C2 - A uranium silicide-carbide with the rare [SiC] unit")
Authors
S.F. Matar, R. Pöttgen,