Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials

C. Stampfl, Arthur J Freeman

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Using density functional theory and the full-potential linearized augmented plane wave (FLAPW) method, we investigate the formation and stability, and atomic structure, of rocksalt AlN/TiX and AlN/VN systems, including properties of the clean surfaces of the constituent materials. Calculations of the adlayer formation energy highlights the effect and interplay of the various energetic contributions on the growth of these strained systems, where the so-called "surface-interface" interaction energy is found to be important for the initial stages of AlN epitaxy. A significant, strain energy builds up for increasing number of layers, where it is greater in the AlN/TiN system, which limits the thickness of rocksalt AlN regions that can grow before a structural transition to the lower energy wurtzite phase takes place. From our calculations, together with the known experimental critical thicknesses, we can obtain an accurate estimate of the wurtzite/substrate interface energy. That these values are high explains why the metastable rocksalt phase, which has significantly lower interface energies, is stabilized.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsA. Kumar, W.J. Meng, Y. Cheng, J.S. Zabinski, G.L. Doll, S. Veprek
Pages507-512
Number of pages6
Volume750
Publication statusPublished - 2002
EventSurface Engineering 2002 Sythesis, Characterization and Applications - Boston, MA, United States
Duration: Dec 2 2002Dec 5 2002

Other

OtherSurface Engineering 2002 Sythesis, Characterization and Applications
CountryUnited States
CityBoston, MA
Period12/2/0212/5/02

Fingerprint

Metastable phases
Strain energy
Epitaxial growth
Density functional theory
Substrates

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Stampfl, C., & Freeman, A. J. (2002). Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials. In A. Kumar, W. J. Meng, Y. Cheng, J. S. Zabinski, G. L. Doll, & S. Veprek (Eds.), Materials Research Society Symposium - Proceedings (Vol. 750, pp. 507-512)

Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials. / Stampfl, C.; Freeman, Arthur J.

Materials Research Society Symposium - Proceedings. ed. / A. Kumar; W.J. Meng; Y. Cheng; J.S. Zabinski; G.L. Doll; S. Veprek. Vol. 750 2002. p. 507-512.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Stampfl, C & Freeman, AJ 2002, Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials. in A Kumar, WJ Meng, Y Cheng, JS Zabinski, GL Doll & S Veprek (eds), Materials Research Society Symposium - Proceedings. vol. 750, pp. 507-512, Surface Engineering 2002 Sythesis, Characterization and Applications, Boston, MA, United States, 12/2/02.
Stampfl C, Freeman AJ. Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials. In Kumar A, Meng WJ, Cheng Y, Zabinski JS, Doll GL, Veprek S, editors, Materials Research Society Symposium - Proceedings. Vol. 750. 2002. p. 507-512
Stampfl, C. ; Freeman, Arthur J. / Formation and stability of enhanced superhard nanostructured AlN/VN and AlN/TiN superlattice materials. Materials Research Society Symposium - Proceedings. editor / A. Kumar ; W.J. Meng ; Y. Cheng ; J.S. Zabinski ; G.L. Doll ; S. Veprek. Vol. 750 2002. pp. 507-512
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