Series

Bands — the series

4 essays on one idea, from the one that introduces it to the one that assumes the rest.
  1. One well, two wells, and the band they become. The energy levels of a chain of identical wells, for 1, 2, 3, 6, 12, 40 of them, with an on-site energy of -4 eV and a coupling of -0.9 eV between neighbours. One well has one level. Two split it into two, 1.80 eV apart. By 40 the levels have filled a band 3.59 eV wide, which is closing on the limit of four times the coupling, 3.60 eV — and no further widening happens however many more wells are added. The count of levels grows with the number of wells; the width of the band does not.

    What happens when the wells get close

    Two atoms brought together split one level into two. A thousand split it into a thousand, packed into a band whose width stops growing after the third. Whether that band is full or half full is the whole difference between a wire and a window.

    part 1 · quantum
  2. A band 3.60 eV wide, and the curvature is the whole story. Energy against wavenumber for one tight-binding band, α + 2β·cos(ka), with α = -4 eV, β = -0.9 eV and a repeat of 300 pm. The band is 3.60 eV from floor to ceiling and periodic in k, so the zone boundary at ka = π is not an edge of anything: it is where the curve turns over. Near the bottom it is a parabola, which is the free-electron dispersion with a different coefficient — a mass of 0.470 m_e rather than one — and near the top it is a parabola the other way up, a mass of -0.470. The inflection between them is at ka = π/2, and it is the point at which a constant force stops producing any acceleration.

    The mass a curve decides

    An electron in a solid answers a force with a mass that is nothing to do with the mass of an electron. It is set by how sharply the band bends, it is smaller than the free value in a wide band and larger in a narrow one, and near the top of any band it is negative — which is why aluminium's Hall voltage has the sign of a positive carrier and no adjustment to an electron count can repair it.

    part 2 · quantum
  3. Two levels that refuse to cross. On the left, the energies of a two-state system as one state is swept past the other, for couplings of 0, 0.05, 0.15, 0.35 electronvolts. With no coupling at all the two levels cross, which is the dotted pair. With any coupling whatever they do not: the eigenvalues are plus and minus half the square root of the squared detuning plus four times the squared coupling, so the closest approach is exactly twice the coupling — measured off the drawn curves as 0.000, 0.100, 0.300, 0.700 eV against 2V, agreeing to 0.0e+0. Far from the crossing the curves rejoin the uncoupled lines, so the repulsion is local: it is largest where the two states are degenerate and dies away as the square of the coupling divided by the detuning. On the right is what makes this more than a picture of two hyperbolas — the character of the upper state, meaning how much of the first basis state is in it. It swaps completely across a region whose width is set by the coupling, so the level that arrives as one thing leaves as the other. That exchange of identity is why the phrase avoided crossing is misleading: nothing is avoided, the labels are.

    The crossing that never happens

    Two energy levels swept past one another do not cross. Any coupling between them, however small, opens a gap of exactly twice the coupling — and the two levels exchange their identities across it, so the state that arrives as one thing leaves as the other while the labels are what avoided anything.

    part 3 · quantum
  4. The bands bend by the amount the Fermi levels differed. A junction between 1e+17 cm⁻³ p-type and 1e+16 cm⁻³ n-type silicon at equilibrium, with the Fermi level flat by construction — that is what equilibrium means — and the two band edges carrying the whole of the 0.774 V drop. The bending happens over 331.8 nm, and it is not symmetric: the depletion reaches 301.6 nm into the lightly doped side and only 30.2 nm into the heavily doped one, because the same exposed charge is reached sooner where there is more of it. An electron in the n-side conduction band therefore faces an uphill barrier of 0.774 V to reach the p side, while an electron already on the p side rolls downhill without any barrier at all — which is the asymmetry the whole device is, and it is drawn here before any current has been mentioned.

    One level, and the field that bends the bands

    Two pieces of the same crystal doped differently have their Fermi levels at different heights. Joining them cannot leave both, because a difference in electrochemical potential is precisely what makes charge move — and everything a diode does is the accounting of what had to happen for that one difference to reach zero.

    part 4 · quantum

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