Proffen, Thomas (2000) Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation. Zeitschrift für Kristallographie - Crystalline Materials, 215 (11) 661 doi:10.1524/zkri.2000.215.11.661
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation | ||
| Journal | Zeitschrift für Kristallographie - Crystalline Materials | ||
| Authors | Proffen, Thomas | Author | |
| Year | 2000 (January 1) | Volume | 215 |
| Issue | 11 | ||
| Publisher | Walter de Gruyter GmbH | ||
| DOI | doi:10.1524/zkri.2000.215.11.661Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 115875 | Long-form Identifier | mindat:1:5:115875:9 |
| GUID | 0 | ||
| Full Reference | Proffen, Thomas (2000) Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation. Zeitschrift für Kristallographie - Crystalline Materials, 215 (11) 661 doi:10.1524/zkri.2000.215.11.661 | ||
| Plain Text | Proffen, Thomas (2000) Analysis of occupational and displacive disorder using the atomic pair distribution function: a systematic investigation. Zeitschrift für Kristallographie - Crystalline Materials, 215 (11) 661 doi:10.1524/zkri.2000.215.11.661 | ||
| In | (2000, January) Zeitschrift für Kristallographie - Crystalline Materials Vol. 215 (11) Walter de Gruyter GmbH | ||
| Abstract/Notes | Many disorderd crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF). The viability of reverse Monte Carlo (RMC) simulations to extract quantitative information about chemical ordering as well as displacements is investigated. The method has been applied to simulated PDFs of disordered structures showing chemical disorder alone as well as in combination with displacements. | ||
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