Molecular dynamics simulations of EXAFS in germanium

• Authors: Janis Timoshenko , Alexei Kuzmin , Juris Purans
• Languages of publication: EN

Abstracts

EN

Classical molecular dynamics simulations have been performed for crystalline germanium with the aim to estimate the thermal effects within the first three coordination shells and their influence on the single-scattering and multiple-scattering contributions to the Ge K-edge extended x-ray absorption fine structure (EXAFS).

Keywords

EN

germanium; EXAFS; molecular dynamics; multiple-scattering

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2011
• Volume: 9
• Issue: 3
• Pages: 710-715

Dates

published

1 - 6 - 2011

online

26 - 2 - 2011

Contributors

author

Janis Timoshenko

• Institute of Solid State Physics, University of Latvia, Kengaraga street 8, LV-1063, Riga, Latvia

author

Alexei Kuzmin

• Institute of Solid State Physics, University of Latvia, Kengaraga street 8, LV-1063, Riga, Latvia

author

Juris Purans

• Institute of Solid State Physics, University of Latvia, Kengaraga street 8, LV-1063, Riga, Latvia

References

• [1] J. Purans et al., Phys. Rev. Lett. 100, 055901 (2008) http://dx.doi.org/10.1103/PhysRevLett.100.055901[Crossref]
• [2] J. Purans et al., J. Phys. Conf. Ser. 190, 012063 (2009) http://dx.doi.org/10.1088/1742-6596/190/1/012063[Crossref]
• [3] A. Kuzmin, R.A. Evarestov, J. Phys.-Condens. Mat. 21, 055401 (2009) http://dx.doi.org/10.1088/0953-8984/21/5/055401[Crossref]
• [4] J. Tersoff, Phys. Rev. B 39, 5566 (1989) http://dx.doi.org/10.1103/PhysRevB.39.5566[Crossref]
• [5] F.H. Stillinger, T.A. Weber, Phys. Rev. B 31, 5262 (1985) http://dx.doi.org/10.1103/PhysRevB.31.5262[Crossref]
• [6] K. Ding, H.C. Andersen, Phys. Rev. B 34, 6987 (1986) http://dx.doi.org/10.1103/PhysRevB.34.6987[Crossref]
• [7] M. Posselt, A. Gabriel, Phys. Rev. B 80, 045202 (2009) http://dx.doi.org/10.1103/PhysRevB.80.045202[Crossref]
• [8] J.D. Gale, A.L. Rohl, Mol. Simulat. 9, 291 (2003) http://dx.doi.org/10.1080/0892702031000104887[Crossref]
• [9] A. Smakula, J. Kalnajs, Phys. Rev. B 99, 1737 (1955) http://dx.doi.org/10.1103/PhysRev.99.1737[Crossref]
• [10] J.C. Noya, C.P. Herrero, R. Ramírez, Phys. Rev. B 56, 237 (1997) http://dx.doi.org/10.1103/PhysRevB.56.237[Crossref]
• [11] A.L. Ankudinov, B. Ravel, J.J. Rehr, S.D. Conradson, Phys. Rev. B 58, 7565 (1998) http://dx.doi.org/10.1103/PhysRevB.58.7565[Crossref]

Identifiers

DOI

10.2478/s11534-010-0074-0