Combined X-ray and neutron single-crystal diffraction in diamond anvil cells

Area of Science:

• Crystallography
• Materials Science
• High-Pressure Physics

Background:

• Traditional single-crystal studies often rely on either X-ray or neutron diffraction.
• Performing combined X-ray and neutron diffraction on the same sample in a diamond anvil cell (DAC) presents significant technical challenges.
• Previous methods lacked the capability for simultaneous, in-situ analysis of crystal structures under high pressure using both X-ray and neutron sources.

Purpose of the Study:

• To demonstrate the feasibility of conducting combined X-ray and neutron single-crystal diffraction studies within a single diamond anvil cell (DAC).
• To develop and present a modified DAC capable of supporting simultaneous X-ray and neutron measurements.
• To establish and discuss data processing and joint refinement procedures for integrated high-pressure synchrotron X-ray and neutron diffraction data.

Main Methods:

• Development of a modified Merrill-Bassett diamond anvil cell (DAC) incorporating an inflatable membrane filled with Helium (He) gas.
• Utilizing the modified DAC on both laboratory X-ray and synchrotron diffractometers, as well as neutron scattering instruments.
• Implementing novel data processing techniques for handling and integrating data from disparate diffraction sources.

Main Results:

• Successful demonstration of combined X-ray and neutron single-crystal diffraction studies within the same modified DAC.
• The developed DAC is compatible with both X-ray and neutron diffraction facilities.
• Presentation and discussion of the first joint structural refinement of high-pressure synchrotron X-ray and neutron single-crystal data.

Conclusions:

• The developed modified diamond anvil cell enables combined X-ray and neutron single-crystal diffraction studies.
• This integrated approach facilitates comprehensive structural analysis of materials under high pressure.
• The presented methodology and data refinement techniques open new avenues for materials characterization.