Neutron scattering kinematics ($\mathbf{Q}={\mathbf{k}}_i-{\mathbf{k}}_f,\hslash \omega =E_i-E_f$)

Treat the incident and outgoing neutrons as free nonrelativistic particles outside the specimen. Their wave vectors, de Broglie wavelengths, momenta and kinetic energies obeyHere $k_i=|{\mathbf{k}}_i|$, $k_f=|{\mathbf{k}}_f|$, $m_n$ is the neutron mass, and $\hslash =h/(2\pi )$ uses the Planck constant. Subtracting the outgoing projectile quantities from the incoming ones gives the momentum transfer and energy delivered to the specimen:Thus $\mathbf{Q}$ has units of inverse length, rather than momentum. A positive $\omega$ means the specimen gains energy; negative $\omega$ means it supplies energy to the neutron. If the angle between incident and outgoing propagation directions is $2\theta$, the law of cosines givesKnowing the detector angle alone therefore leaves $Q$ undetermined unless the outgoing energy is known or an elastic scattering assumption is justified.

For a reproducible unit conversion choose $m_n=1.67492750056\times 10^{-27}\mathrm{kg}$, $h=6.62607015\times 10^{-34}\mathrm{J}\mathrm{s}$ and $1\mathrm{eV}=1.602176634\times 10^{-19}\mathrm{J}$. The first is a recommended central value; the latter two conversions are exact.^[ref] With $1$ ångström equal to $10^{-10}\mathrm{m}$ and $1\mathrm{meV}=10^{-3}$ electronvolts, substitution into $E=h^2/(2m_n{\lambda }^2)$ givesSquare brackets here mean the numerical value in the indicated unit. For an original chosen example, ${\lambda }_i=2$ ångströms and ${\lambda }_f=2.5$ ångströms give $E_i\simeq 20.451\mathrm{meV}$, $E_f\simeq 13.089\mathrm{meV}$ and $\hslash \omega \simeq 7.362\mathrm{meV}$. At $2\theta =60^{\circ }$, $Q\simeq 2.879{\mathring{\mathrm{A}}}^{-1}$. These values stipulate an allowed projectile geometry; they do not assert that any particular specimen has an excitation there.

Define transfer gained by the neutron as $\mathbf{Q}={\mathbf{k}}_f-{\mathbf{k}}_i$. If it is perpendicular to ${\mathbf{k}}_i$, expansion of the free-neutron kinetic energy gives $E_f-E_i={\hslash }^2{Q}^2/(2m_n)$. Absorbing one phonon requires this positive energy to equal $\hslash \omega$. A periodic phonon branch may therefore intersect a nonperiodic recoil parabola in an extended-zone representation. The sign of $\mathbf{Q}$ is opposite to the common sample-transfer convention and must be declared.