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The Debye–Waller factor suppresses coherent scattering because atoms fluctuate about their equilibrium positions. For Gaussian displacement $u$, the amplitude factor is $⟨e^{iqu}⟩=\exp [-q^2⟨u^2⟩/2]$ and the intensity factor is its squared modulus. It multiplies the lattice interference factor, so exact extrema of the full finite-lattice intensity need not coincide with the constructive-interference centers when this envelope varies appreciably.

For coherent elastic diffraction, the intensity associated with a given scattering amplitude is proportional to its squared modulus. Integrated powder diffraction intensities additionally include the powder diffraction multiplicity, Lorentz-polarization factor, Debye–Waller factor, absorption and instrument corrections. A peak's height is not its integrated intensity unless its profile width and shape are also specified.

The Lamb-Mössbauer factor $f$ is the fraction in the coherent elastic line. In the harmonic-lattice approximation it is a Debye–Waller factor. Write the displacement of the emitting or absorbing atomic nucleus relative to its equilibrium site as $\mathbf{u}$, put $u_{\parallel }=\hat{\mathbf{k}}\cdot \mathbf{u}$, and define the angular wavenumber $k=E_{\gamma }/(\hslash c)$. Choose the equilibrium site so that $⟨u_{\parallel }⟩=0$. Its directional displacement variance is ${\sigma }_{\parallel }^2=⟨u_{\parallel }^2⟩$. A harmonic solid in thermal equilibrium has a Gaussian distribution for this displacement, whose characteristic function gives the elastic amplitudeTaking the squared magnitude gives the intensity fractionThe factor $1/2$ belongs to the amplitude exponent; it disappears when the amplitude is squared. For an isotropic solid, $⟨u_{\parallel }^2⟩=⟨|\mathbf{u}{|}^2⟩/3$, so an equivalent expression is $f=\exp [-k^2⟨|\mathbf{u}{|}^2⟩/3]$. Directional and three-dimensional mean squared displacements must not be substituted for one another without this factor.

An Einstein solid approximation replaces the vibrational spectrum by one positive angular frequency $\omega$. For the directional quantum harmonic oscillator, with the same effective mass $M$ as in $E_R$,Here $k_B$ is the Boltzmann constant and $T$ is temperature. This follows by taking the expected value of $u_{\parallel }^2$ in each oscillator energy eigenstate, $\hslash (n+1/2)/(M\omega )$, and averaging with the Boltzmann distribution. Substitution givesThe zero-temperature limit retains zero-point energy and a nonzero displacement variance. Cooling therefore increases the recoil-free fraction towards a limit below one for finite $E_R/(\hslash \omega )>0$. At high temperature, the exponent tends to $-2E_R{k}_{B}T/(\hslash \omega {)}^2$. This is a single-frequency approximation to a harmonic lattice's coherent elastic weight, not a complete description of all zero-net-energy processes of an isolated oscillator. Real vibrational spectra, directional binding and anharmonic motion can change its predictions.

Extend the stipulated teaching system by choosing $\hslash \omega =0.020\mathrm{eV}$, so $\eta =E_R/(\hslash \omega )=0.1$. Then $f(0)=0.90484$, while $f=0.80542$ at $k_{B}T=\hslash \omega$. If source and absorber are independent, the fraction of events eligible for recoil-free emission followed by recoil-free absorption contains the product $f_s{f}_a$; this gives $0.81873$ for two zero-temperature copies. It is not the total probability of absorption, which also depends on the number of resonant atomic nuclei, geometry and spectral line overlap.

Initially approximate every tungsten atom by the same atomic scattering factor $f$. Pairing the quarter-coordinate sites in the crystal basis structure factor givesFor cubic powder diffraction, increasing deflection corresponds to increasing $h^2+k^2+l^2$, since $d_{hkl}=a/\sqrt{h^2+k^2+l^2}$. The first possibilities are

Hence the first two strong rings have Miller indicesThe powder diffraction multiplicity is six for $\{200\}$, from three choices of nonzero axis and two signs. For $\{210\}$ it is $3!2^2=24$, from six permutations and four sign choices. If the atomic scattering factors and angular corrections are taken as approximately equal for these nearby rings, their integrated diffraction intensity obeyThis is a multiplicity-based estimate. An exact measured ratio also depends on the momentum-transfer dependence of the atomic scattering factor, the Lorentz-polarization factor, the Debye–Waller factor, absorption and instrument geometry. In particular, the source does not provide the beta-phase lattice constant or instrument corrections needed to calculate those angular factors. Peak heights additionally depend on peak widths; the estimate refers to integrated ring intensities.

The two body-centre/origin sites and the other six sites have different local environments. Their effective atomic scattering factors therefore need not be identical even in an elemental, chemically pure crystal. Write them as $f_A$ and $f_B$, respectively. The crystal basis structure factor becomesFor the low-angle families this givesThus $\{110\}$ can produce a weak extra powder diffraction ring below $\{200\}$. This is an accidental diffraction extinction from equal atomic scattering factors: its cancellation in part d is exact only in the identical-atom-scattering approximation. Small differences in the bonding electron density, or site-dependent Debye–Waller factors, can leave a small nonzero amplitude. For instance, taking $f_A=f+\delta f$ and $f_B=f$ gives $F_{110}=2\delta f$ while $F_{200}=4f+2\delta f$; the corresponding intensity suppression is quadratic in $|\delta f/f|$. No impurity is required. The $\{100\}$ and $\{111\}$ cancellations remain for arbitrary scalar $f_A,f_B$ in this two-site-class model.

There is a genuine periodicity mismatch in the source. Write $x_s=sb+u_s$. The intended periodic displacements in a harmonic chain satisfy $u_N=u_0$, equivalently $x_N=x_0+Nb$ for unwrapped positions. The printed $x_N=x_0$ instead makes the potential $\frac{1}{2}m{\lambda }^2{\sum }_s(x_{s+1}-x_s{)}^2+\frac{1}{2}Nm{\lambda }^2{b}^2$, with equilibrium at equal positions, not $x_s=sb$. The following lattice derivation uses periodic displacements, as required by the requested position operator.

Put $k_r=2\pi r/(Nb)$, $r=0,\dots ,N-1$, and Fourier transform the displacements and momenta with normalization $N^{-1/2}$. The spring quadratic form is diagonal, with factor $|e^{i{k}_{r}b}-1{|}^2=4{\sin }^2(k_{r}b/2)$. Thus each nonzero mode is a harmonic oscillator withCreation and annihilation operators obey $[a_r,a_{r^{\prime }}^{†}]={\delta }_{r{r}^{\prime }}$. Inverting the oscillator-coordinate expansion givesThe conjugate momentum is $p_s=-i\sqrt{m\hslash /(2N)}{\sum }_{r\ne 0}\sqrt{{\omega }_r}(a_r{e}^{i{k}_{r}sb}-a_r^{†}{e}^{-i{k}_{r}sb})$. Fourier orthogonality diagonalizes the Hamiltonian as ${\sum }_{r\ne 0}\hslash {\omega }_r(a_r^{†}{a}_r+1/2)$. The normalized oscillator vacuum is annihilated by every $a_r$; applying creation operators gives number states, each added phonon contributing $\hslash {\omega }_r$. The omitted zero mode is a free centre-of-mass coordinate, which must be fixed or treated separately rather than assigned an oscillator vacuum. Accordingly the reduced displacement commutator is $[u_s,p_t]=i\hslash ({\delta }_{st}-1/N)$.

For $iq{u}_s$, separate creation and annihilation parts. Their commutator is a scalar, so the supplied Baker--Campbell--Hausdorff formula and vacuum expectations giveSumming the geometric lattice phases yieldsThe ratio is interpreted by continuity at its removable singularities. The interference factor has its maximum $N^2$ at $q=2\pi n/b$, where all lattice phases coincide. The source's Fourier-sum hint should read $r\equiv 0(\mathrm{mod}N)$, rather than $r=Nb$.

The claim about the full matrix element also needs qualification: its Debye–Waller factor envelope varies with $q$. The absolute global maximum is $|M(0){|}^2=N^2$; at nonzero reciprocal-lattice points the value is $N^2{e}^{-2W(2\pi n/b)}<N^2$. Moreover the derivative of the envelope there is nonzero, whereas that of the interference factor is zero, so those points are not exact local maxima of the full finite-chain intensity. The reciprocal-lattice condition maximizes the interference factor, which is the usual constructive-scattering interpretation of the requested result.

To determine a crystal structure, scatter probes whose wavelength is comparable to atomic spacings, typically $0.1\mathrm{nm}$. X-ray diffraction, neutron diffraction and electron diffraction probe periodic order through coherent elastic scattering. With incident and outgoing wavevectors ${\mathbf{k}}_i,{\mathbf{k}}_f$, define $\mathbf{Q}={\mathbf{k}}_i-{\mathbf{k}}_f$. Elastic scattering has $|{\mathbf{k}}_i|=|{\mathbf{k}}_f|$ and constructive interference occurs when $\mathbf{Q}=\mathbf{G}$, a reciprocal lattice vector. The equivalent Bragg's law iswhere the detector scattering angle is $2\theta$, not $\theta$. 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 $2\theta$, permitting indexing and determination of lattice constants without selecting one crystallite. For a cubic cell, for example, $d_{hkl}=a/\sqrt{h^2+k^2+l^2}$. The white-beam Laue method is especially useful for crystal orientation.

The crystal basis structure factor isafter geometric and thermal corrections, including the Debye–Waller factor. For X-rays, $f_j$ 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 $F_{\mathbf{G}}$: 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 areHere $\mathbf{q}$ is the phonon wavevector reduced into a Brillouin zone, and $s$ labels an acoustic phonon branch or optical phonon branch. Negative energy transfer corresponds to annihilating an already occupied phonon. For neutrons $E={\hslash }^2{k}^2/(2m_n)$, so wavelength and energy selection are linked. Typical thermal-neutron energies of a few to tens of millielectronvolts ($1\mathrm{meV}=10^{-3}$ electronvolts) are well matched to many lattice vibrations.

A triple-axis spectrometer uses a monochromator crystal to select ${\mathbf{k}}_i$, the sample as the second scattering axis, and an analyser crystal to select ${\mathbf{k}}_f$ before detection. Rotate these elements and the specimen to hold $\mathbf{Q}$ fixed while scanning $E_i-E_f$; inelastic peaks locate ${\omega }_s(\mathbf{q})$. Repeat at different $\mathbf{q}$ 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 $d\omega /dq$ of an acoustic phonon branch.