Quantitative convergent-beam electron diffraction and quantum crystallography—the metallic bond in aluminium

作者: Philip N. H. Nakashima

DOI: 10.1007/S11224-017-0984-1

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摘要: The technique of quantitative convergent-beam electron diffraction (QCBED) is reviewed as a method for making very accurate and precise measurements low-order bonding-sensitive structure factors. As such, it with the potential to make significant contributions field quantum crystallography. To demonstrate this, application QCBED in determining nature metallic bond aluminium examined detail. importance precision factor measurement when comes bonding distributions, especially metals, becomes obvious from this examination. Uncertainties low ±0.1% are routinely attainable by shown be important reliably locating charge. In case aluminium, nearly free gas metal where distribution subtler than most other materials, bonds entirely tetrahedrally centred. This conclusion that could not have been reached experimentally without levels offered QCBED.

参考文章(105)
J. M. Zuo, M. Kim, M. O'Keeffe, J. C. H. Spence, Direct observation of d-orbital holes and Cu-Cu bonding in Cu2O Nature. ,vol. 401, pp. 49- 52 ,(1999) , 10.1038/43403
Nevill Francis Mott, Harrie Stewart Wilson Massey, The theory of atomic collisions The theory of atomic collisions. ,(1949)
F Richard, R Bader, Atoms in molecules : a quantum theory Clarendon Press. ,(1990)
Philip N. H. Nakashima, Barrington C. Muddle, Differential convergent beam electron diffraction: Experiment and theory Physical Review B. ,vol. 81, pp. 115135- ,(2010) , 10.1103/PHYSREVB.81.115135
M. Saunders, D.M. Bird, O.F. Holbrook, P.A. Midgley, R. Vincent, The use of Bethe potentials in zone-axis CBED pattern matching Ultramicroscopy. ,vol. 65, pp. 45- 52 ,(1996) , 10.1016/S0304-3991(96)00051-4
G W Brindley, P Ridley, Atomic scattering factors of aluminium, potassium chloride and copper for X rays Proceedings of the Physical Society. ,vol. 50, pp. 96- 107 ,(1938) , 10.1088/0959-5309/50/1/311
R. Holmestad, J. M. Zuo, J. C. H. Spence, R. Hoiert, Z. Horita, Effect of Mn doping on charge density in γ-TiAl by quantitative convergent beam electron diffraction Philosophical Magazine. ,vol. 72, pp. 579- 601 ,(1995) , 10.1080/01418619508243787
Xiahan Sang, Andreas Kulovits, Jörg Wiezorek, Guofeng Wang, Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction. Journal of Chemical Physics. ,vol. 138, pp. 084504- 084504 ,(2013) , 10.1063/1.4792436