ArticlesNo Access

DISSOCIATION OF PH₃ AND AsH₃ ON Ge(100)(2x1) SURFACE

ŞENAY KATIRCIOĞLU

Physics Department, Middle East Technical University, Ankara 06531, Turkey

https://doi.org/10.1142/S0218625X07009451Cited by:4 (Source: Crossref)

Abstract

The most stable structures for the dissociation of phosphine and arsine on Ge(100)(2x1) surface have been investigated by relative total energy calculations based on Density Functional Theory. It has been found that the thermodynamically preferred structures in the dissociation path of phosphine and arsine are the same; PH₂ and AsH₂ products prefer to be on a single Ge dimer bond, but PH and AsH prefer to be between the adjacent Ge dimers. According to the optimization calculations, the dissociation path started with the adsorption of PH₃(AsH₃) on the electron deficient side of the Ge dimer bond is ended with the formation of P–P (As–As) dimers parallel to the dimers of Ge.

Keywords:

References

N. H. Karamet al., Sol. Energy. Mat. Sol. Cells 66, 453 (2001), DOI: 10.1016/S0927-0248(00)00207-5. Crossref, Web of Science, Google Scholar
A. Matoet al., Sol. Energy. Mat. Sol. Cells 66, 585 (2001). Crossref, Web of Science, Google Scholar
R. Wang, Z. Guo and G. Wang, Sol. Energy. Mat. Sol. Cells 90, 1052 (2006), DOI: 10.1016/j.solmat.2005.05.018. Crossref, Web of Science, Google Scholar
F. Gaoet al., J. Cryst. Growth 273, 381 (2005), DOI: 10.1016/j.jcrysgro.2004.09.057. Crossref, Web of Science, ADS, Google Scholar
B. Tillacket al., Thin Sol. Films 508, 279 (2006), DOI: 10.1016/j.tsf.2005.08.408. Crossref, Web of Science, ADS, Google Scholar
C. M. Scheireret al., Appl. Surf. Sci. 214, 75 (2003), DOI: 10.1016/S0169-4332(03)00349-0. Crossref, Web of Science, ADS, Google Scholar
J. Hallstedtet al., Mat. Sci. Eng. B 114, 180 (2004). Web of Science, Google Scholar
W. E. McMahon, A. E. Kibbler and J. M. Olson, Surf. Sci. 571, 146 (2004), DOI: 10.1016/j.susc.2004.08.008. Crossref, Web of Science, ADS, Google Scholar
H.-W. Tsai and D.-S. Lin, Surf. Sci. 482–485, 654 (2001). Crossref, Web of Science, ADS, Google Scholar
Y. Shimamuneet al., Appl. Surf. Sci. 162, 390 (2000). Crossref, Web of Science, ADS, Google Scholar
L. Vitali, M. G. Ramsey and F. P. Netzer, Appl. Surf. Sci. 175, 146 (2001). Web of Science, ADS, Google Scholar
W. E. McMahon and J. M. Olson, J. Crys. Growth 225 (2003) 410; Phys. Rev. B 60 (1999) 2480 . Google Scholar
R. Miotto, A. C. Ferraz and G. P. Srivastava, Braz. J. Phys. 32, 392 (2002), DOI: 10.1590/S0103-97332002000200041. Crossref, Web of Science, ADS, Google Scholar
O. Anan'yina and O. Yanovs'ky, Vacuum 78, 509 (2005). Crossref, Web of Science, ADS, Google Scholar
S. Mankefors, P. O. Nilsson and J. Kanski, Phys. Rev. B 60, 1933 (1999), DOI: 10.1103/PhysRevB.60.1933. Crossref, Web of Science, Google Scholar
J. M. Buriak, Chem. Rev. 102, 1272 (2002), DOI: 10.1021/cr000064s. Google Scholar
R. J. Culbertson, Y. Kuk and L. C. Feldman, Surf. Sci. 167, 127 (1986), DOI: 10.1016/0039-6028(86)90789-2. Crossref, Web of Science, ADS, Google Scholar
R. Rossmannet al., Surf. Sci. 279, 199 (1992), DOI: 10.1016/0039-6028(92)90756-V. Crossref, Web of Science, ADS, Google Scholar
H. M. Tütüncü, S. J. Jenkins and G. P. Srivastava, Phys. Rev. B 57, 4649 (1998), DOI: 10.1103/PhysRevB.57.4649. Crossref, Web of Science, ADS, Google Scholar
Y.-J. Xu and J.-Q. Li, Appl. Surf. Sci. 252, 5855 (2006), DOI: 10.1016/j.apsusc.2005.08.008. Crossref, Web of Science, ADS, Google Scholar
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian 98 Rev. A.7 (Gaussian, Inc., Pittsburgh, PA, 1998) . Google Scholar
H. B. Sclegel , Geometry Optimization on Potential Energy Surfaces in Modern Electronic Structure Theory , ed. D. R. Yarkony ( World Scientific Publishing , Singapore , 1995 ) . Google Scholar
R. Fletcher , Practical Methods of Optimization ( Wiley , New York , 1980 ) . Google Scholar
R. Miottoet al., J. Chem. Phys. 114, 9549 (2001), DOI: 10.1063/1.1355766. Crossref, Web of Science, ADS, Google Scholar
T. L. McDonellet al., Phys. Rev. B 72, 193307 (2005), DOI: 10.1103/PhysRevB.72.193307. Crossref, Web of Science, Google Scholar
R. Miotto, G. P. Srivastava and A. C. Ferraz, Phys. Rev. B 63, 125321 (2001), DOI: 10.1103/PhysRevB.63.125321. Crossref, Web of Science, ADS, Google Scholar