A Direct Approach to Crystal Structure Determination - a solution to the phase problem

晶体结构测定的直接方法 - 相位问题的解决方案

• 批准号: DP0346828
• 负责人: Prof Joanne Etheridge
• 金额: $ 18.79万
• 依托单位: Monash University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2003
• 资助国家: 澳大利亚
• 起止时间: 2003-01-01 至 2007-04-01
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0346828
• 关键词: Direct; Approach; Crystal; Structure; Determination

The purpose of this research is to determine the positions of atoms in crystals and nano-crystals. We have developed a theory that shows how to extract all of the information required to determine atomic positions from such crystals and we have carried through initial successful tests on simple materials. In particular, we have found that crystallographic phase, hitherto not directly measurable, can in fact be extracted uniquely from a single electron diffraction pattern. This constitutes a solution to the phase problem in crystallography. It is now our aim to develop this method into a routine technique.

这项研究的目的是确定晶体和纳米晶体中原子的位置。我们开发了一种理论，展示了如何从此类晶体中提取确定原子位置所需的所有信息，并且我们已经对简单材料进行了初步成功的测试。特别是，我们发现迄今为止无法直接测量的晶体相实际上可以从单个电子衍射图案中唯一地提取。这构成了晶体学中相位问题的解决方案。现在我们的目标是将该方法发展为常规技术。