Improved analysis of surface X-ray data
| Autor: | H. Schulz, G. Beneke |
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| Rok vydání: | 1997 |
| Předmět: | |
| Zdroj: | Zeitschrift für Kristallographie - Crystalline Materials. 212:833-836 |
| ISSN: | 2196-7105 2194-4946 |
| DOI: | 10.1524/zkri.1997.212.12.833 |
| Popis: | A new method is developed for interpreting the difference Patterson function in surface X-ray structure analysis. The difference Patterson function has negative parts which arise from subtracting the integral Patterson function from the true Patterson function. This suggests, that by adding a judiciously chosen function one may utilize the information contained in the positivity constraint for the true Patterson function. We formulate conditions on this function and find a method to construct this function. It is shown that in many cases this function coincides with the integral Patterson function of the so-called “complementary structure”. The proposed new Patterson function obtained by adding the so constructed function to the difference Patterson function is easier to interpret than the conventional difference Patterson function. |
| Databáze: | OpenAIRE |
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