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Semiclassical Dynamics of Bloch Electrons

Semiclassical Bloch dynamics represents a quantum state localized in both real space and crystal momentum by a center (rc,kc)(\mathbf r_c,\mathbf k_c) that moves through one isolated band. In the ordinary, nongeometric approximation, a carrier of signed charge qq obeys

r˙c=1ℏ∇kεn(kc),ℏk˙c=q(E+r˙c×B).\dot{\mathbf r}_c = \frac{1}{\hbar} \nabla_{\mathbf k} \varepsilon_n(\mathbf k_c), \qquad \hbar\dot{\mathbf k}_c = q \left( \mathbf E + \dot{\mathbf r}_c\times\mathbf B \right).

For an electron, q=−eq=-e with e>0e>0; for a hole described relative to a filled band, q=+eq=+e. The first equation is a property of the band dispersion. The second is the Lorentz-force law for crystal momentum. Neither equation supplies a collision time, a conductivity, a Landau spectrum, or a guarantee that one band remains isolated.

Electromagnetic equations on this page use SI units. In Gaussian units the magnetic Lorentz term carries the corresponding factor of 1/c1/c.

Here kc\mathbf k_c is a wave-vector coordinate on the Brillouin torus, not the electron’s mechanical momentum divided by ℏ\hbar. The construction below explains the packet’s localization, its motion between collisions and the conditions under which an isolated band is sufficient.

Required background. Band Theory Overview supplies Bloch states, band energies, Brillouin-zone periodicity, and the distinction among model, Kohn–Sham, and coherent quasiparticle bands.

Helpful background. Wave Packets and Classical Trajectories supplies generic localization, spreading, and trajectory criteria, while Effective Mass supplies the local band Hessian. General Berry Curvature is needed only for the geometric branch below.

Let a periodic Hamiltonian have normalized cell-periodic eigenvectors

H(k)∣unk⟩=εn(k)∣unk⟩,H(\mathbf k) |u_{n\mathbf k}\rangle = \varepsilon_n(\mathbf k) |u_{n\mathbf k}\rangle,

and Bloch states ∣ψnk⟩|\psi_{n\mathbf k}\rangle. A packet made from one band is

∣Wn⟩=∫BZ[dk] a(k,t)∣ψnk⟩,∫BZ[dk] ∣a(k,t)∣2=1,|W_n\rangle = \int_{\mathrm{BZ}}[d\mathbf k]\, a(\mathbf k,t) |\psi_{n\mathbf k}\rangle, \qquad \int_{\mathrm{BZ}}[d\mathbf k]\, |a(\mathbf k,t)|^2 = 1,

Use delta-normalized Bloch states, ⟨ψnk∣ψmk′⟩=(2π)dδnmδ(d)(k−k′)\langle\psi_{n\mathbf k}|\psi_{m\mathbf k'}\rangle=(2\pi)^d\delta_{nm}\delta^{(d)}(\mathbf k-\mathbf k'), and [dk]=ddk/(2π)d[d\mathbf k]=d^dk/(2\pi)^d. Cell-periodic inner products use unit cell-average normalization. Other overall normalizations give the same packet when the measure and amplitudes are transformed together. The envelope is concentrated in a contractible patch around kc\mathbf k_c. Within that patch one may define

kc=∫BZ[dk] ∣a(k,t)∣2k,rc=⟨Wn∣r∣Wn⟩.\mathbf k_c = \int_{\mathrm{BZ}}[d\mathbf k]\, |a(\mathbf k,t)|^2\mathbf k, \qquad \mathbf r_c = \langle W_n|\mathbf r|W_n\rangle.

The first formula is not a global average of angular coordinates across an arbitrary Brillouin-zone cut; it is meaningful because the packet is narrow in a local chart. If a=∣a∣e−iγa=|a|e^{-i\gamma}, the narrow-packet center has the local form

rc≃∇kγ(kc)+An(kc),An=i⟨unk∣∇kunk⟩.\mathbf r_c \simeq \nabla_{\mathbf k}\gamma(\mathbf k_c) + \boldsymbol{\mathcal A}_n(\mathbf k_c), \qquad \boldsymbol{\mathcal A}_n = i \langle u_{n\mathbf k}| \nabla_{\mathbf k}u_{n\mathbf k}\rangle.

The two terms change oppositely under a Bloch-state gauge transformation, so their sum is gauge invariant. This is a local construction: a packet can be assembled patchwise even when no globally smooth eigenvector exists over the full Brillouin zone.

Let alata_{\mathrm{lat}} denote a representative lattice spacing, LpertL_{\mathrm{pert}} the shortest spatial scale on which the external perturbation changes appreciably, and Δri\Delta r_i, Δki\Delta k_i the rms standard deviations along a chosen pair of conjugate directions. A controlled local packet requires a window such as

alat≪Δr≪Lpert,Lpert−1≪Δk≪alat−1,ΔriΔki≳12.a_{\mathrm{lat}} \ll \Delta r \ll L_{\mathrm{pert}}, \qquad L_{\mathrm{pert}}^{-1} \ll \Delta k \ll a_{\mathrm{lat}}^{-1}, \qquad \Delta r_i\Delta k_i \gtrsim \frac12.

The packet spans many cells, so microscopic lattice oscillations are averaged into a band description, but it remains small enough to sample the perturbation locally. It must also remain in one spectrally isolated band over its significant momentum region and over the trajectory it will explore. A narrow packet centered far from a degeneracy can be valid even if the band touches another band elsewhere in the Brillouin zone; a trajectory through that touching cannot.

A Gaussian envelope has nonzero mathematical tails throughout the Brillouin zone, so literal support is too strong for a practical isolation test. Fix a small discarded-weight tolerance δa\delta_a and declare a significant-weight region Ka(t)\mathcal K_a(t) such that

∫BZ∖Ka(t)[dk] ∣a(k,t)∣2<δa.\int_{\mathrm{BZ}\setminus\mathcal K_a(t)} [d\mathbf k]\, |a(\mathbf k,t)|^2 < \delta_a.

Whenever this page refers to the packet’s retained momentum region, it means the declared Ka(t)\mathcal K_a(t) together with the reported tolerance, not the literal support of an infinite-tailed model envelope.

Without external perturbations, each momentum component accumulates the phase exp⁡[−iεn(k)t/ℏ]\exp[-i\varepsilon_n(\mathbf k)t/\hbar]. Expanding that phase around kc\mathbf k_c translates the packet envelope at

vn(kc)=1ℏ∇kεn(kc).\mathbf v_n(\mathbf k_c) = \frac{1}{\hbar} \nabla_{\mathbf k} \varepsilon_n(\mathbf k_c).

More precisely, before replacing the packet by its center,

r˙c=∫BZ[dk] ∣a(k,t)∣2vn(k).\dot{\mathbf r}_c = \int_{\mathrm{BZ}}[d\mathbf k]\, |a(\mathbf k,t)|^2 \mathbf v_n(\mathbf k).

The center formula follows when vn\mathbf v_n varies little across the support. Packet spreading and distortion depend on higher derivatives and are not encoded by the center alone.

For a local Schrödinger Hamiltonian,

H(k)=(p+ℏk)22m+V(r),H(\mathbf k) = \frac{(\mathbf p+\hbar\mathbf k)^2}{2m} +V(\mathbf r),

the Hellmann–Feynman theorem gives

1ℏ∂εn∂ki=1ℏ⟨unk|∂H(k)∂ki|unk⟩=⟨pi+ℏkim⟩.\frac{1}{\hbar} \frac{\partial\varepsilon_n}{\partial k_i} = \frac{1}{\hbar} \left\langle u_{n\mathbf k}\middle| \frac{\partial H(\mathbf k)}{\partial k_i} \middle|u_{n\mathbf k}\right\rangle = \left\langle \frac{p_i+\hbar k_i}{m} \right\rangle.

Thus the gradient of the band energy is the cell-averaged physical velocity for that Bloch state. It need not be parallel to k\mathbf k, and it is periodic under k↦k+G\mathbf k\mapsto\mathbf k+\mathbf G. A flat band has vanishing ordinary group velocity even though its Bloch eigenvectors may carry nontrivial geometry.

For an electric field alone, the acceleration theorem is

ℏk˙c=qE.\hbar\dot{\mathbf k}_c = q\mathbf E.

A uniform field therefore translates the packet through reciprocal space at a rate whose direction already contains the carrier-sign convention. An electron moves opposite E\mathbf E in k\mathbf k space. In a reduced-zone description, crossing a chosen zone face merely changes the representative by a reciprocal vector; it is not automatically an interband transition.

In slowly varying electromagnetic fields, the ordinary coupled equations are

r˙c=1ℏ∇kεn(kc),ℏk˙c=q[E(rc,t)+r˙c×B(rc,t)].\begin{aligned} \dot{\mathbf r}_c &= \frac{1}{\hbar} \nabla_{\mathbf k} \varepsilon_n(\mathbf k_c), \\ \hbar\dot{\mathbf k}_c &= q \left[ \mathbf E(\mathbf r_c,t) + \dot{\mathbf r}_c\times \mathbf B(\mathbf r_c,t) \right]. \end{aligned}

An additional smooth scalar energy U(r)U(\mathbf r) contributes −∇rU-\nabla_{\mathbf r}U to the second equation. If U=qϕU=q\phi already represents the electrostatic energy, its force is qEq\mathbf E and must not be counted twice.

With no additional scalar energy UU, the work–energy relation follows directly:

dεndt=∇kεn⋅k˙c=q r˙c⋅E.\begin{aligned} \frac{d\varepsilon_n}{dt} &= \nabla_{\mathbf k}\varepsilon_n \cdot\dot{\mathbf k}_c \\ &= q\, \dot{\mathbf r}_c\cdot\mathbf E. \end{aligned}

The magnetic part vanishes because r˙c⋅(r˙c×B)=0\dot{\mathbf r}_c\cdot(\dot{\mathbf r}_c\times\mathbf B)=0. A magnetic field redirects the trajectory without doing work. If an additional static U(r)U(\mathbf r) is present, the corresponding relation is d(εn+U)/dt=qE⋅r˙cd(\varepsilon_n+U)/dt=q\mathbf E\cdot\dot{\mathbf r}_c; its force changes the band energy while transferring energy to or from UU.

Uniform Electric Fields and Bloch Oscillations

Section titled “Uniform Electric Fields and Bloch Oscillations”

Set B=0\mathbf B=0 and take E\mathbf E constant. Then

kc(t)=kc(0)+qEℏt,\mathbf k_c(t) = \mathbf k_c(0) + \frac{q\mathbf E}{\hbar}t,

with reciprocal-lattice equivalence understood. Because εn(k)\varepsilon_n(\mathbf k) is periodic on the Brillouin torus, the velocity repeats whenever the trajectory advances by a reciprocal vector. In one dimension, a perfectly coherent isolated band therefore produces Bloch oscillations rather than indefinite acceleration. No physical reflection at a zone boundary is required.

In more than one dimension, the crystal-momentum point itself recurs only when the field direction is commensurate with the reciprocal lattice: for some nonzero reciprocal vector G\mathbf G,

qETℏ=G.\frac{q\mathbf E T}{\hbar} = \mathbf G.

An incommensurate direction generally gives quasiperiodic velocity, although a special dispersion can have a shorter velocity period or constant components without momentum recurrence. Even a closed reciprocal-space path can carry an ordinary transverse drift. The one-dimensional example below has an unambiguous period and zero displacement over a complete cycle.

For lattice spacing aa and hopping energy J>0J>0, consider

ε(k)=−2Jcos⁡(ka).\varepsilon(k) = -2J\cos(ka).

The group velocity and accelerated wave vector are

v(k)=2Jaℏsin⁡(ka),k(t)=k0+qEℏt.v(k) = \frac{2Ja}{\hbar}\sin(ka), \qquad k(t) = k_0+ \frac{qE}{\hbar}t.

One reciprocal period 2π/a2\pi/a is traversed in the Bloch period

TB=2πℏ∣qE∣a=h∣qE∣a.T_B = \frac{2\pi\hbar}{|qE|a} = \frac{h}{|qE|a}.

Integrating the velocity gives

x(t)−x(0)=ε[k(t)]−ε(k0)qE=2JqE[cos⁡(k0a)−cos⁡(k(t)a)].\begin{aligned} x(t)-x(0) &= \frac{\varepsilon[k(t)]-\varepsilon(k_0)}{qE} \\ &= \frac{2J}{qE} \left[ \cos(k_0a)-\cos(k(t)a) \right]. \end{aligned}

The peak-to-peak excursion is 4J/∣qE∣4J/|qE|, and the time average of vv over one full period is zero. This is a coherent single-band result, not a generic prediction of zero current in a real crystal. Scattering interrupts the cycle, interband transfer leaks amplitude into other bands, and geometric terms can add transverse motion. Those effects require their own declared regimes.

Three stacked plots show a reduced-zone momentum jumping at the zone cut while velocity and displacement remain smooth during Bloch oscillations

For qE>0qE>0, k0=0k_0=0 and the cosine band, the reduced-zone representative jumps from π/a\pi/a to −π/a-\pi/a. The velocity and real-space position remain continuous; the jump is a coordinate change. Here vmax⁡=2Ja/ℏv_{\max}=2Ja/\hbar and the plotted displacement is ξ=qE[x(t)−x(0)]/(2J)\xi=qE[x(t)-x(0)]/(2J). These are the narrow-packet center formulas. A finite momentum width averages the velocities and reduces the excursion, as the first exercise shows.

Set E=0\mathbf E=0 and take B\mathbf B constant. The equations imply two invariants:

dεndt=0,ddt(k~c⋅B)=0.\frac{d\varepsilon_n}{dt} = 0, \qquad \frac{d}{dt} \left( \widetilde{\mathbf k}_c\cdot\mathbf B \right) = 0.

Here k~c(t)\widetilde{\mathbf k}_c(t) is a continuous lift of the trajectory to repeated-zone reciprocal space. The dot product is not a globally single-valued coordinate on the Brillouin torus because adding G\mathbf G can change it. The lifted trajectory is the intersection of a periodically continued constant-energy surface with a plane perpendicular to B\mathbf B; the physical torus path is its projection modulo reciprocal vectors. The signed charge fixes its orientation. Compact closed lifts and open lifts have different dynamical consequences; an open lift can project to a closed winding loop on the torus. Their classification and extremal areas belong to Fermi Surface.

For B=Bz^\mathbf B=B\hat{\mathbf z}, the transverse real- and reciprocal-space displacements satisfy locally

rc⊥(t)−rc⊥(0)=ℏqBz^×[k~c⊥(t)−k~c⊥(0)].\mathbf r_{c\perp}(t)-\mathbf r_{c\perp}(0) = \frac{\hbar}{qB} \hat{\mathbf z}\times \left[ \widetilde{\mathbf k}_{c\perp}(t)- \widetilde{\mathbf k}_{c\perp}(0) \right].

Weak field has more than one meaning. The magnetic length

ℓB=ℏ∣q∣ ∣B∣\ell_B = \sqrt{ \frac{\hbar}{|q|\,|\mathbf B|} }

should be large compared with microscopic lattice scales for a local band trajectory. Equivalently, for a representative cell cross-section AcA_c, the flux test is

∣q∣ ∣B∣Ach≪1.\frac{|q|\,|\mathbf B|A_c}{h} \ll 1.

The field-driven orbit must also avoid appreciable transfer to nearby bands. Separately, discrete Landau levels become spectrally resolved when a representative spacing ℏωc\hbar\omega_c is comparable to or larger than both thermal broadening kBTk_{\mathrm B}T and a disorder linewidth Γ\Gamma. At that point a continuous phase-space trajectory is no longer a sufficient description of the spectrum. Landau Levels in Solids derives the resolved material spectrum. Quantum Oscillations connects orbit quantization to measurements, and Magnetic Translations explains the field-modified translation algebra.

Differentiate the group velocity along the trajectory. With the local inverse curvature tensor

(Mn−1)ij=1ℏ2∂2εn∂ki∂kj,\left( \mathsf M_n^{-1} \right)_{ij} = \frac{1}{\hbar^2} \frac{\partial^2\varepsilon_n} {\partial k_i\partial k_j},

the ordinary acceleration is

v˙i=∑j(Mn−1)ijFj,F=ℏk˙c.\dot v_i = \sum_j \left( \mathsf M_n^{-1} \right)_{ij} F_j, \qquad \mathbf F = \hbar\dot{\mathbf k}_c.

This equation is local: both the Hessian and the force are evaluated along the path. Force and acceleration need not be parallel in an anisotropic band, and a constant force need not produce constant acceleration in a nonparabolic band. Negative electron-band curvature is not by itself a positive carrier charge. Effective Mass distinguishes the masses extracted from different responses; Holes derives the positive-charge description near a full band.

Berry curvature and orbital magnetic moment

Section titled “Berry curvature and orbital magnetic moment”

The ordinary equations depend only on εn(k)\varepsilon_n(\mathbf k). A wave packet also samples how ∣unk⟩|u_{n\mathbf k}\rangle changes across momentum space. With the connection convention introduced above, define

Ωn=∇k×An.\boldsymbol\Omega_n = \nabla_{\mathbf k} \times \boldsymbol{\mathcal A}_n.

For an isolated nondegenerate band in spatially uniform fields, the leading geometric form is

r˙c=1ℏ∇kε~n−k˙c×Ωn,\dot{\mathbf r}_c = \frac{1}{\hbar} \nabla_{\mathbf k} \widetilde{\varepsilon}_n - \dot{\mathbf k}_c\times \boldsymbol\Omega_n,

where Ωn\boldsymbol\Omega_n is the Berry curvature and

ε~n=εn−mn⋅B\widetilde{\varepsilon}_n = \varepsilon_n - \mathbf m_n\cdot\mathbf B

includes the band orbital magnetic moment. The force equation remains coupled to r˙c\dot{\mathbf r}_c, so the system must be solved consistently. In an inhomogeneous field, −∇rcε~n-\nabla_{\mathbf r_c}\widetilde{\varepsilon}_n must also enter ℏk˙c\hbar\dot{\mathbf k}_c; the uniform-field preview does not include that force.

The same first-order expansion changes the phase-space factor to

Dn=1−qℏB⋅Ωn.D_n = 1 - \frac{q}{\hbar} \mathbf B\cdot\boldsymbol\Omega_n.

At this order the orbital moment, phase-space measure, occupations and magnetization currents can all affect a measured response. Include them consistently rather than adding an anomalous velocity alone. Berry Curvature in Band Dynamics derives these material corrections, while Hall Effect distinguishes intrinsic and scattering-dependent transverse responses. Nonzero local curvature alone does not determine a Chern number or Hall coefficient.

An isolated band must remain separated over the declared significant-weight region, not merely at its center. A useful instantaneous gap is

Δiso(t)=min⁡k∈Ka(t)m≠n∣εm(k)−εn(k)∣.\Delta_{\mathrm{iso}}(t) = \min_{\substack{ \mathbf k\in\mathcal K_a(t)\\ m\ne n }} \left| \varepsilon_m(\mathbf k) - \varepsilon_n(\mathbf k) \right|.

One needs Δiso>0\Delta_{\mathrm{iso}}>0 along the full trajectory. Gap size alone is not enough; the rate at which the basis changes also matters. For m≠nm\ne n, define the local adiabatic diagnostic

ηmn(k,t)=ℏ∣k˙c⋅⟨umk∣∇kH(k)∣unk⟩∣∣εm(k)−εn(k)∣2,ηmax⁡(t)=max⁡k∈Ka(t)m≠nηmn(k,t).\eta_{mn}(\mathbf k,t) = \frac{ \hbar \left| \dot{\mathbf k}_c\cdot \langle u_{m\mathbf k}| \nabla_{\mathbf k}H(\mathbf k) |u_{n\mathbf k}\rangle \right| }{ |\varepsilon_m(\mathbf k)-\varepsilon_n(\mathbf k)|^2 }, \qquad \eta_{\max}(t) = \max_{\substack{ \mathbf k\in\mathcal K_a(t)\\ m\ne n }} \eta_{mn}(\mathbf k,t).

Single-band following requires ηmax⁡≪1\eta_{\max}\ll1 together with a discarded tail small enough that it does not change the requested observable. This instantaneous ratio is a useful local warning, not by itself a rigorous long-time error bound; smoothness, accumulated duration, and packet spreading must also be controlled. At an exact degeneracy, an individual-band eigenvector is not a unique smooth object and this ratio is singular; the retained object must be a multiband subspace.

Near an isolated avoided crossing, write the local projected Hamiltonian in a diabatic basis as

Hloc(k)=δ(k)2σz+Δσx.H_{\mathrm{loc}}(\mathbf k) = \frac{\delta(\mathbf k)}{2}\sigma_z + \Delta\sigma_x.

The minimum adiabatic gap is 2∣Δ∣2|\Delta|. The band-dynamics problem supplies the diabatic sweep rate

α=dδdt∣kc=k˙c⋅∇kδ,B=0 ⟹ α=qℏE⋅∇kδ.\alpha = \left. \frac{d\delta}{dt} \right|_{\mathbf k_c} = \dot{\mathbf k}_c\cdot \nabla_{\mathbf k}\delta, \qquad \mathbf B=0 \ \Longrightarrow\ \alpha = \frac{q}{\hbar} \mathbf E\cdot \nabla_{\mathbf k}\delta.

Landau–Zener Transition derives the transition probability and explains the finite-time and linear-sweep assumptions. In a magnetic field, two nearby semiclassical orbits can undergo analogous field-driven transfer across a small band gap. This magnetic breakdown changes the orbit network and cannot be repaired by continuing a single-band path through the junction. Multiple junctions can also interfere coherently.

The principal one-band failure modes are distinct:

Failure Lost assumption Required change
exact or symmetry-enforced degeneracy unique isolated eigenline propagate the degenerate subspace with a multiband Hamiltonian
electric-field interband transfer adiabatic following through an avoided crossing use Landau–Zener or a full time-dependent multiband calculation
magnetic breakdown orbit remains on one sheet use a coupled orbit network with junction amplitudes
resolved orbital quantization continuous phase-space spectrum use Landau-level or magnetic-translation methods
packet splitting across branches one localized center represents the state propagate multiple packets or the full state

Strong field is therefore not one universal threshold. Interband transfer, magnetic breakdown, and resolved intraband quantization compare the field with different gaps, velocities, broadenings, and length scales.

Disorder, Collisions, and Spectral Coherence

Section titled “Disorder, Collisions, and Spectral Coherence”

The collisionless equations describe one packet between scattering events. A transport measurement instead samples an ensemble of occupied packets and a collision mechanism. A relaxation time τ\tau, mean free path ℓ∼∣v∣τ\ell\sim|\mathbf v|\tau, and quantities such as ωcτ\omega_c\tau are not determined by εn(k)\varepsilon_n(\mathbf k) alone. Boltzmann Transport introduces distributions and collision integrals to calculate conductivity.

Smooth disorder can enter locally as an additional force if it varies on scales large compared with the packet. Atomic-scale or strong disorder scatters over a broad momentum range, can mix bands, and may destroy the trajectory through localization. Treating every collision as an instantaneous random reset is a model whose regime and conserved quantities must be stated.

For an interacting system, the propagated object must be a coherent quasiparticle pole or comparably sharp spectral ridge, not merely a Kohn–Sham eigenvalue or a broad maximum. A useful packet requires a lifetime long enough to traverse the distance and time being modeled and a residue and linewidth compatible with a band label. Coherent spectral weight can coexist with an incoherent background; when no sharp excitation survives, there is no unique εn(k)\varepsilon_n(\mathbf k) whose gradient defines a long-lived carrier velocity. Spectral Functions explains these poles, linewidths and continua.

In the cosine band, take an initial Gaussian momentum distribution with center k0k_0 and variance s2s^2, narrow enough to use a local chart. A uniform field shifts every momentum by qEt/ℏqEt/\hbar. Show how the packet-averaged velocity differs from the center value. What happens to the peak-to-peak displacement?

Solution

The Gaussian characteristic function gives

⟨eika⟩=eikc(t)ae−a2s2/2.\langle e^{ika}\rangle =e^{ik_c(t)a}e^{-a^2s^2/2}.

A wrapped Gaussian on the Brillouin circle gives the same periodic moment. Therefore

⟨v(t)⟩=2Jaℏe−a2s2/2sin⁡ ⁣(k0a+qEaℏt).\langle v(t)\rangle =\frac{2Ja}{\hbar}e^{-a^2s^2/2} \sin\!\left(k_0a+\frac{qEa}{\hbar}t\right).

The period remains TB=h/(∣qE∣a)T_B=h/(|qE|a), but the peak-to-peak displacement is 4Je−a2s2/2/∣qE∣4J e^{-a^2s^2/2}/|qE|. For as=0.25as=0.25, the amplitude is about 0.9690.969 times the center approximation. The packet’s changing spatial width does not invalidate this expectation-value result in the ideal single-band model; additional forces, collisions or interband transfer can.

2. A closed momentum path with transverse drift

Section titled “2. A closed momentum path with transverse drift”

For a square-lattice band

ε(k)=−2Jxcos⁡(kxa)−2Jycos⁡(kya),\varepsilon(\mathbf k)=-2J_x\cos(k_xa)-2J_y\cos(k_ya),

take B=0\mathbf B=0 and E=Ex^\mathbf E=E\hat{\mathbf x}. Show that the momentum returns modulo a reciprocal vector after TBT_B, but the real-space path need not close.

Solution

kx(t)=kx0+qEt/ℏk_x(t)=k_{x0}+qEt/\hbar while ky=ky0k_y=k_{y0} is constant. The xx velocity averages to zero over a full reciprocal period. The transverse velocity is constant:

vy=2Jyaℏsin⁡(ky0a),Δy=vyTB.v_y=\frac{2J_ya}{\hbar}\sin(k_{y0}a),\qquad \Delta y=v_yT_B.

Thus the center drifts unless sin⁡(ky0a)=0\sin(k_{y0}a)=0. This motion requires no Berry curvature. The electric field does no work through the transverse displacement, so it is consistent with the band energy returning after each cycle.

For constant B\mathbf B and E=0\mathbf E=0, prove that both εn(kc)\varepsilon_n(\mathbf k_c) and k~c⋅B\widetilde{\mathbf k}_c\cdot\mathbf B are conserved, where k~c\widetilde{\mathbf k}_c is a continuous repeated-zone lift. What geometric curve does the packet follow before projection to the Brillouin torus?

Solution

The energy derivative is qv⋅(v×B)=0q\mathbf v\cdot(\mathbf v\times\mathbf B)=0. For the second,

ddt(k~c⋅B)=qℏ(r˙c×B)⋅B=0.\frac{d}{dt} (\widetilde{\mathbf k}_c\cdot\mathbf B) = \frac{q}{\hbar} (\dot{\mathbf r}_c\times\mathbf B) \cdot\mathbf B = 0.

The lifted path lies simultaneously on the periodically continued surface εn(k~)=constant\varepsilon_n(\widetilde{\mathbf k})=\text{constant} and on a plane of constant component parallel to B\mathbf B. The physical path is its projection to the Brillouin torus. Whether the lift is compact and closed or instead open is a property of the band geometry, not of the plotting convention. A projected path can close modulo a reciprocal vector while its lift remains open, so torus closure alone does not define a compact cyclotron orbit.

Let

Hloc(k)=β(k−k0)2σz+Δσx,H_{\mathrm{loc}}(k) = \frac{\beta(k-k_0)}{2}\sigma_z + \Delta\sigma_x,

with Δ≠0\Delta\ne0. A uniform electric field drives the one-dimensional packet with B=0\mathbf B=0. Derive the diabatic sweep rate α\alpha, the minimum adiabatic gap and the local adiabatic ratio at the crossing. State the assumptions needed to use a Landau–Zener probability.

Solution

Here δ(k)=β(k−k0)\delta(k)=\beta(k-k_0) and ℏk˙c=qE\hbar\dot k_c=qE, so

α=dδdt=βk˙c=βqEℏ.\alpha = \frac{d\delta}{dt} = \beta\dot k_c = \frac{\beta qE}{\hbar}.

The eigenvalue separation is β2(k−k0)2+4∣Δ∣2\sqrt{\beta^2(k-k_0)^2+4|\Delta|^2}, so its minimum is 2∣Δ∣2|\Delta|. At the crossing, the adiabatic states are σx\sigma_x eigenstates. Since H˙=ασz/2\dot H=\alpha\sigma_z/2, its off-diagonal matrix element has magnitude ∣α∣/2|\alpha|/2, giving

η(0)=ℏ∣α∣8∣Δ∣2=∣βqE∣8∣Δ∣2.\eta(0)=\frac{\hbar|\alpha|}{8|\Delta|^2} =\frac{|\beta qE|}{8|\Delta|^2}.

A small local ratio supports adiabatic following but is not a complete long-time bound. To use Landau–Zener Transition, verify that Ka\mathcal K_a samples only this crossing, other bands are remote, the diabatic detuning is locally linear, Δ\Delta is approximately constant, coherence survives the passage, and the initial and final windows are far enough from the crossing for the chosen asymptotic or finite-window formula.

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