To determine a crystal structure, scatter probes whose wavelength is comparable to atomic spacings, typically . X-ray diffraction, neutron diffraction and electron diffraction probe periodic order through coherent elastic scattering. With incident and outgoing wavevectors , define . Elastic scattering has and constructive interference occurs when , a reciprocal lattice vector. The equivalent Bragg's law is
where the detector scattering angle is , not . Peak positions reveal plane spacings and the unit cell; systematic absent reflections constrain centring and the atomic basis.
For X-ray diffraction, a laboratory tube or a synchrotron supplies a collimated beam. In a monochromatic single-crystal experiment a goniometer rotates the specimen and an area detector records reflection positions and integrated wave intensities. A powder experiment uses many randomly oriented crystallites; the reflections form cones recorded as rings or peaks versus , permitting indexing and determination of lattice constants without selecting one crystallite. For a cubic cell, for example, . The white-beam Laue method is especially useful for crystal orientation.
The crystal basis structure factor is
after geometric and thermal corrections, including the Debye–Waller factor. For X-rays, describes scattering from the atomic electron density. Thus positions provide lattice geometry while relative wave intensities constrain atomic positions and species. Wave intensities do not directly give the phases of : structure refinement or other constraints must address the phase problem.
Neutron diffraction uses a reactor or spallation source, wavelength selection and a detector bank or time-of-flight detection. Neutrons interact with nuclei through nuclear scattering lengths that vary between elements and isotopes rather than simply with atomic number. This makes them useful for light atoms, isotope contrast and distinguishing some neighbours in the periodic table; their magnetic interaction also probes magnetic order. Electron diffraction in a transmission electron microscope gives strong signals from very small thin crystallites, although strong multiple scattering often complicates quantitative wave intensity analysis. These techniques complement one another.
A phonon dispersion relation requires both momentum and energy transfer, so elastic diffraction alone is insufficient. In coherent inelastic neutron scattering, the measured transfers for phonon creation are
Here is the phonon wavevector reduced into a Brillouin zone, and labels an acoustic phonon branch or optical phonon branch. Negative energy transfer corresponds to annihilating an already occupied phonon. For neutrons , so wavelength and energy selection are linked. Typical thermal-neutron energies of a few to tens of millielectronvolts ( electronvolts) are well matched to many lattice vibrations.
A triple-axis spectrometer uses a monochromator crystal to select , the sample as the second scattering axis, and an analyser crystal to select before detection. Rotate these elements and the specimen to hold fixed while scanning ; inelastic peaks locate . Repeat at different along symmetry directions to map the phonon dispersion relation. The dynamic structure factor governs peak weights, including the selection of phonon polarization by the scattering geometry. A time-of-flight spectrometer instead infers outgoing neutron energy from travel time over a known flight path and records many directions simultaneously.
Inelastic X-ray scattering can also resolve phonons when very high energy resolution is available. Optical Raman scattering and Brillouin scattering measure vibrations near the zone centre because photon momentum transfers are small compared with a typical reciprocal lattice spacing; they complement, rather than generally map the entire zone like, momentum-resolved neutron measurements. Ultrasound measurements give the long-wavelength sound speed, the initial slope of an acoustic phonon branch.
Triple-axis spectrometer 2026-10-18
A triple-axis spectrometer uses Bragg's law at an initial crystal monochromator to select and at a second analyzing crystal to select . The sample sits between these selectors. The three axes refer to the monochromator, sample and analyzer rotations. The final counter measures accepted counts; the analyzer's wavelength selection makes those counts sensitive to outgoing energy even when the counter does not measure each neutron's energy directly.
Figure 1. . Original functional schematic, with illustrative bends rather than historical angles or distances. The upper route omits the analyzer; interpreting its peaks as elastic requires a physical assumption. The lower route selects both projectile energies. Neither route specifies a historical detector construction. Details.
For a constant- scan, change incident or outgoing energy while coordinating sample and analyzer settings so that stays fixed. Counts versus then probe excitations at one momentum transfer. Changing only the analyzer angle generally changes both transferred quantities. Incident-beam monitoring, analyzer response and the instrumental resolution must enter quantitative interpretation; the diagram's arrows specify information flow, not an absolute intensity calibration.