First-principles calculations of step formation energies and step interactions on TiN(0 0 1)

Surface Science

Volumn 582, Issue 1-3, 2005, Pages 145-150

  Ciobanu, Cristian V ^a,b   Tambe, Dhananjay T ^a   Shenoy, Vivek B ^a  

^a Brown University   (United States)

^b Department of Metallurgical and Materials Engineering   (United States)

Author keywords

Density functional calculations; Single crystal surfaces; Step formation energy; Surface energy; Titanium nitride

Indexed keywords

CHEMICAL BONDS; INTERFACIAL ENERGY; LATTICE CONSTANTS; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; THERMAL CONDUCTIVITY; THIN FILMS;

DENSITY FUNCTIONAL CALCULATIONS; ENERGY CALCULATIONS; SINGLE CRYSTAL SURFACES; STEP FORMATION ENERGY;

TITANIUM NITRIDE;

EID: 17944368252     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.03.025     Document Type: Article

References (16)

1. K. Kobayashi Jpn. J. Appl. Phys. 39 2000 4311; K. Kobayashi Surf. Sci. 493 2001 665
2. K. Kobayashi Jpn. J. Appl. Phys. 39 2000 4311; K. Kobayashi Surf. Sci. 493 2001 665
3. M. Marlo, and V. Milman Phys. Rev. B 62 2000 2899
4. D. Gall, S. Kodambaka, M.A. Wall, I. Petrov, and J.E. Greene J. Appl. Phys. 93 2003 9086
5. S. Kodambaka, S.V. Khare, V. Petrova, A. Vailionis, I. Petrov, and J.E. Greene Surf. Sci. 513 2002 468
6. S. Kodambaka, V. Petrova, S.V. Khare, D. Gall, A. Rockett, I. Petrov, and J.E. Greene Phys. Rev. Lett. 89 2002 176102
7. S. Kodambaka, V. Petrova, S.V. Khare, D.D. Johson, I. Petrov, and J.E. Greene Phys. Rev. Lett. 88 2002 146101
8. S. Kodambaka, S.V. Khare, V. Petrova, D.D. Johnson, I. Petrov, and J.E. Greene Phys. Rev. B 67 2003 035409
9. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169; G. Kresse Comput. Mater. Sci. 6 1996 15
10. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169; G. Kresse Comput. Mater. Sci. 6 1996 15
11. J. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
12. T.W. Poon, S. Yip, P.S. Ho, and F.F. Abraham Phys. Phys. Rev. B 45 1992 3521
13. V.B. Shenoy, and C.V. Ciobanu Phys. Rev. B 67 2003 081402(R)
14. V.I. Marchenko, and Y.A. Parshin Sov. Phys. JETP 52 1980 129
15. C. Jayaprakash, C. Rottman, and W.F. Saam Phys. Rev. B 30 1984 6549
16. R. Najafabadi, and D.J. Srolovitz Surf. Sci. 317 1994 221