A Direct Method for Density Matrix Calculation: Application to Si Grain Boundaries in the Tight-Binding Scheme |
| Journal |
Materials Science Forum (Volumes 207 - 209) |
| Volume |
Intergranular and Interphase Boundaries in Materials |
| Edited by |
A.C. Ferro, J.P. Conde and M.A. Fortes |
| Pages |
105-108 |
| DOI |
10.4028/www.scientific.net/MSF.207-209.105 |
| Citation |
A. Hairie et al., 1996, Materials Science Forum, 207-209, 105 |
| Authors |
A. Hairie, F. Hairie, B. Lebouvier, E. Paumier |
| Keywords |
Bond Order, Density Matrix, Electronic Energy, Electronic Forces, Grain Boundary, Linear Scaling Order-N Method, Silicon, Tight-Binding |
| Full Paper |
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