A Combination Method of Charge Density Measurement in Hard Materials Using Accurate, Quantitative Electron and X-ray Diffraction: The α-Al 2O3 Case

Microscopy and Microanalysis

Volumn 9, Issue 5, 2003, Pages 419-427

  Streltsov, Victor A ^a   Nakashima, Philip N H ^a   Johnson, Andrew W S ^a  

^a UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

Author keywords

Al2O3; Corundum; Electron charge density; Quantitative convergent beam electron diffraction; synchrotron X ray diffraction

Indexed keywords

EID: 0242307862     PISSN: 14319276     EISSN: None     Source Type: Journal    
DOI: 10.1017/S1431927603030356     Document Type: Article

References (20)

1. BECKER, P.J. & COPPENS, P. (1974). Extinction within the limit of validity of the Darwin transfer equations. I. General formalisms for primary and secondary extinction and their application to spherical crystals. Acta Cryst A 30, 129-147.
2. BIRD, D.M. & KING, Q.A. (1990). Absorptive form factors for high-energy electron diffraction. Acta Cryst A 46, 202-208.
3. BIRKELAND, C., HOLMESTAD, R., MARTHINSEN, K. & HOIER, R. (1996). Efficient beam-selection criteria in quantitative convergent beam electron diffraction. Ultramicroscopy 66, 89-99.
4. CLEMENTI, E. & ROETTI, C. (1974). Roothaan-Hartree-Fock atomic wavefunctions. Basis functions and their coefficients for ground and certain excited states of neutral and ionized atoms, Z ≤ 54. Atomic Data and Nuclear Data Tables 14, 177-478.
5. KORITSANSZKY, T. & COPPENS, P. (2001). Chemical applications of X-ray charge-density analysis. Chem Rev 101, 1583-1627.
6. 2O. J Appl Cryst 33, 156-167.
7. MASLEN, E.N. & SPADACCINI, N. (1993). Extinction correction from equivalent reflections. Acta Cryst A 49, 661-667.
8. 3. Acta Cryst B 49, 973-980.
9. 3) and bromellite (BeO): A lattice-dynamical estimate. Acta Cryst A 49, 473-480.
10. PILLET, S., SOUHASSOU, M., LECOMTE, C., SCHWARZ, K., BLAHA, P., RERAT, M., LICHENOT, A. & ROVERSI, P. (2001). Recovering experimental and theoretical electron density in corundum using the multipolar model: IUCr Multipole Refinement Project. Acta Cryst A 57, 290-303.
11. SPENCE, J.C.H. (1993). On the accurate measurement of structure-factor amplitudes and phases by electron diffraction. Acta Cryst A 49, 231-260.
12. SPENCE, J.C.H. & ZUO, J.M. (1992). Electron Microdiffraction. New York and London: Plenum Press.
13. STEWART, R.F., SPACKMAN, M.A. & FLENSBURG, C. (1998). VALRAY98 Reference Manual. Carnegie-Mellon University and University of Copenhagen.
14. 3 (R = Y,Ho) using an APD detector. J Synch Rad 5, 1309-1316.
15. STRELTSOV, V.A. & MASLEN, E.N. (1992). On least-squares estimation of extinction corrections. Acta Cryst A 48, 651-653.
16. STRELTSOV, V.A., NAKASHIMA, P.N.H. & JOHNSON, A.W.S. (2001). Charge density analysis from complementary high energy synchrotron X-ray and electron diffraction data. J Phys Chem Solids 62/12, 2109-2117.
17. ZACHARIASEN, W.H. (1967). A general theory of X-ray diffraction in crystals. Acta Cryst A 23, 558-564.
18. ZUO, J.M. (1993). Automated structure-factor refinement from convergent beam electron diffraction patterns. Acta Cryst A 49, 429-435.
19. 2O. Nature 401, 49-52.
20. ZUO, J.M. & WEICKENMEIER, A.L. (1995). On the beam selection and convergence in the Bloch-wave method. Ultramicroscopy 57, 375-383.