Blank Cover Image

An Ab Initio Two-Center Tight-Binding Approach to Simulations of Complex Materials Properties

Author(s):
Frauenheim, Th.
Porezag, D.
Elstner, M.
Jungnickel, G.
Elsner, J.
Haugk, M.
Sieck, A.
Seifert, G.
3 more
Publication title:
Tight-binding approach to computational materials science : symposium held December 1-3, 1997, Boston, Massachusetts, U.S.A.
Title of ser.:
Materials Research Society symposium proceedings
Ser. no.:
491
Pub. Year:
1998
Page(from):
91
Pub. info.:
Warrendale, Pa.: MRS - Materials Research Society
ISSN:
02729172
ISBN:
9781558993969 [1558993967]
Language:
English
Call no.:
M23500/491
Type:
Conference Proceedings

Similar Items:

1 Conference Proceedings A Self-Consistent-Charge Density-Functional Tight-Binding Scheme

Elstner, M., Porezag, D., Jungnickel, G., Frauenheim, Th., Suhai, S., Seifert, G.

MRS - Materials Research Society
7 Conference Proceedings Effects of Surface Preparation on Epitaxial GaN on 6H-SiC Deposited Via MOCVD

Elsner, J., Frauenheim, Th., Haugk, M., Gutierrez, R., Jones, R., Heggie, M. I.

MRS - Materials Research Society
2 Conference Proceedings Self Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Biological Molecules

Elstner, M., Porezag, D., Seifert, G., Frauenheim, Th., Suhai, S.

MRS - Materials Research Society
8 Conference Proceedings A Theoretical Approach to Functionalization of Carbon Nanotubes

Frauenheim, T., Seifert, G., Koehler, T., Elstner, M., Lee, S.M., Lee, Y.H.

Kluwer Academic Publishers
3 Conference Proceedings Reconstruction of Nonpolar GaN Surfaces

Elsner, J., Haugk, M., Frauenheim, Th.

MRS - Materials Research Society
9 Conference Proceedings Stability, Chemical Bonding and Vibrational Properties of Amorphous Carbon at Different Mass Density

Kohler, Th., Frauenheim, Th., Jungnickel, O.

Materials Research Society
4 Conference Proceedings Diamond {111} Surface: Graphitization or Reconstruction?

Jungnickel, G., Porezag, D., Frauenheim, Th., Lambrecht, W. R. L., Segall, B., Angus, J. C.

Materials Research Society
10 Conference Proceedings Vibrational Signatures of Diamond Surfaces

Kohler, Th., Frauenheim, Th., Porezag, D., Pederson, M.

Materials Research Society
5 Conference Proceedings Theory of Ga, N, and H Teminated GaN(0001)/(0001~) surfaces

Elsner, J., Haugk, M., Gutierrez, R., Frauenheim, Th.

MRS - Materials Research Society
11 Conference Proceedings MOLECULAR DYNAMIC STRUCTURE INVESTIGATIONS OF THE SURFACE STABILITY AND ADSORPTION OF H, H2, CH3, C2H2: (100) DIAMOND

Frauenheim, Th., Blaudeck, P., Porezag, D.

Materials Research Society
6 Conference Proceedings GaN Nanotubes

Lee, S. M., Lee, Y. H., Hwang, Y. G., Elsner, J., Porezag, D., Frauenheim, T.

MRS - Materials Research Society
12 Conference Proceedings Irradiation Experiment Revisited ? Stability and Positron Lifetime of Large Vacancy Clusters in Silicon

Staab, T.E.M., Puska, M.J., Hakala, M., Sieck, A., Haugk, M., Frauenheim, T., Leipner, H.S.

Trans Tech Publications
1
 
2
 
3
 
4
 
5
 
6
 
7
 
8
 
9
 
10
 
11
 
12