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level which can contain a single (spinless) fermionic particle is described by, † † H = ε d + ∑ k M k (ak + ak ) c † c + ∑ k ωk ak ak ≡ ε d c †c + c† cH M + H ω ; (1.1) ak = ["phonon-k" operator ] ; c = ["localized-state fermion" operator ] ;

(

)

**Note straight away: we have the interaction M k written in terms of a k-space representation,
**

* M k = [ k-space fermion/phonon coupling ] ≡ ∫ M (r )e i⋅k •r d 3 r = ( ∫ M (r )e − i⋅k •r d 3 r )* = M − k = M −k ∈ ℝ; (1.2)

Find the energy spectrum of this Hamiltonian. Do so by following these steps: a) Subject the Hamiltonian (1.1) † ˆ ˆ to canonical1 transformation: H → H ′ = U † HU = e S He − S , where S ≡ c † c∑ k Mkk (ak − a−k ) ≡ c † cA = Ac † c . ω Preliminaries: baker-Hausdorff expansion, and proof that the operator e S is unitary. Also, cite fermion vs. phonon commutation relations, noting they occupy their own operator-spaces, n →∞ 1 e A Be − A = B + [ A, B ] + 1 [ A,[ A, B ]] + 1 [ A,[ A,[ A, B ]]] + ... ≡ B + [1 A, B ] + 1 [ 2 A, B ] + 1 [3 A, B ] + ... = ∑ n =0 n! [n A, B ]; 2 6 2 6

[ak , a ] = δ kk ′ ; [ak , ak ′ ] = 0 = 0 = [a , a ]; {c, c } = 1; {c, c} = 0 = 0 = {c , c };

† k′ † † k′ † k † † † †

(1.3)

Another thing we’ll need: the product-rule for (anti)commutators (both indicated), A[ B, C ]− + [ A, C ]− B = A[ B, C ] + [ A, C ]B [ AB, C ]± = ABC ± CAB = A[ B, C ]+ − [ A, C ]+ B = A{B, C} − {A, C}B

(1.4)

Transforming: The baker-Hausdorff expansion (1.3) used to effect the (unitary) congruency transform will † “hit” the Hamiltonian (1.1), and ak ↔ ak operators in the decomposition H = ε d c † c + c† cH M + H ω of (1.1) will “move through” the c ↔ c † operators, and vice versa. Also, c† ↔ c only occurs as c†c , and any operator commutes with itself, ∞ n † ˆ [ c cA, H ] ˆ ˆ ˆ H ′ = H + [1 c † cA, H ] + 1 [2 c† cA, H ] + 1 [3 c† cA, H ] + ... = H + ∑ 2 6 n! n =1 ∞ n † ˆ ∞ ˆ ˆ ˆ [ c cA, ε d c †c + c† cH M + H ω ] ε A[n c †c, c †c ] + [ n c †cA, c †cH M ] + (c †c)n [n A, H ω ] (1.5) = H +∑ = H +∑ d n! n! n =1 n =1 ∞ ∞ ˆ ˆ ˆ ˆ ˆ (c † c) 2 n [n A, H M ] + (c † c)n [n A, H ω ] ε A ⋅ 0 + (c†c )n (c†c )n [ n A, H M ] + (c†c )n [ n A, H ω ] ′= H +∑ d H = H +∑ n! n! n =1 n =1 Commutators (only the n = 0, n = 1 ones survive): The only commutators left to compute appear as, M M M M † † † † † † ˆ [n O, H M ] = ∑ kk ′ k k ′ [ n ak − a− k , ak ′ + ak ′ ] = ∑ kk ′ k k ′ ([n ak , ak ′ ] + [n ak , ak ′ ] − [a− k , ak ′ ] − [a− k , ak ′ ]);

ωk

ωk

ˆ [ O, H ω ] = ∑ kk ′

n

M k ωk ′

ωk

[ a − a− k , a a ] = ∑ kk ′

n † k † k′ k′

M kωk ′

(1.6)

([ a , a a ] − [ a−k , a a ]);

n † k † k′ k′ n † k′ k′

ωk

And subsequently: the (1.6) needs to be further broken down,

1

Recall: (1) transform of a product is the product of a transform, and (2) the eigenvalues of Hermitian operators are invariant.

Question for grader: What is a good qualitative description of “selfenergy”? I have heard it come up in my research a few times when we want to turn a physical junction at which quantum transport occurs from an infinite-dimensional Hamiltonian to a 4x4 one.k′δ n1 ) + (c†c)n ∑ kk′ Mωkωk′ (−ak†′δ k′kδ n1 − δ k′.9) into. temperature using a Debye dispersion. † † † † [n a− k .8) 1 † 1 2M k 2 Mk2 † † † † = H − (c c ) ∑ k (2 + M k (ak + a−k )) = ε d c c − c c ∑ k + ∑ k ωk ak ak ωk ωk 1! † b) put H ′ in the form H ′ = [ε d − Σ]c † c + ∑ k ωk ak ak . and thereby reading off the spectrum..[ak ..9) Just for fun. kD ε (T ) (ε d − Σ) / V 1 β ℏck ⋅ 4π ( β ℏck ) 2 d ( β ℏck ) (ε d − Σ) / V (k BT )4 ∞ x 3 dx = (ε Fer − µ )/( kBT ) + = (ε Fer − µ )/( kBT ) + V e + 1 (2π )3 β ( β ℏc)3 ∫ e β ℏck − 1 e + 1 2π 2 (ℏc )3 ∫ e x − 1 0 0 (1.7). we see that only n = 0 and n = 1 terms survive in the expansion (1. ak ] + [ak ′ .. It seems to come up whenever we have infinite-dimensional (albeit: simple) matrices. which would turn (1.† † † † † † † [ n ak . and finally c) recognizing the Hamiltonian as a sum of independent quadratic forms. ε Fer .− k ak ′δ n1 . ɶ ɶ ε = H = H = ε = (ε − Σ) c †c + ∑ ℏω a † a d k k k k = εd − Σ e β (ε Fer − µ ) + 1 + ∑k εd − Σ ℏωk ℏωk d 3 k V ≈ β (ε Fer − µ ) + + 1 (2π )3 ∫ e β ℏωk − 1 e β ℏωk − 1 e (1. ak ′ ak ′ ] = −[n −1 a− k (ak ′ [ak ′ . as far as plotting is concerned. We have (1. so it’s difficult to judge which energy scale should be compared to which scale.8).8) acting upon a state containing phonons with energy ε s (k ) = ℏωs (k ) and fermions with energy ε f as. −δ kk ′ ]] = −[n −1 ak . [n a−k . a−k ]ak ′ )] = −[ n −1 a−k (ak ′ 0 − δ k ′. k ∞ (c † c ) 2 n ∑ kk′ MωMk′ ( −δ kk ′δ n1 + 0 − 0 − δ −k . k BT } . (1.−k ak′δ n1 ) k k ɶ =H+ H ∑ n! n =1 (1. † † † [n ak . ak ′ ] = 0 = 0† = −[ n a−k . Σ. which isn’t too interesting. Can you make a suggestion? .[ak . −k ak ′ )] = +δ k ′.[ak . Glancing at (1.7) Victory lap: plugging in the simple commutators: By (1. ak ′ ]. ak ′ ak ′ ] = −[ n −1 ak (ak ′ [ak ′ .. µ . and determine the “self-energy” Σ . † † † † † † † † † † [n ak .. a− k ] + [ak ′ .10) 4 4 4 2 (ε d − Σ) / V ( k BT ) π (ε d − Σ) / V ( k BT ) π = (ε Fer − µ )/( kBT ) + = + e + 1 2π 2 (ℏc)3 15 e (ε Fer − µ )/ ( kBT ) + 1 (ℏc)3 30 There are five (5) different energy scales here: {ε d . I want to plot something interesting to impart relevance. Plotting the function ε ( x) V ~ 1 e1/ x +1 + 1 x 4 just 3 results in a monotonically-increasing function.. this then appears as. After doing so much fancy math. it is obvious that Σ = − − c † c ∑ k (2M k 2 / ωk ) . ak ′ ]]] = [ak . δ kk ′ ] = −δ kk ′δ n1 . δ − kk ′ ] = δ − kk ′δ n1 . we could plot this vs. ak ′ ] = [ak . ak ]ak ′ )] = −[n −1 ak (ak ′δ k ′k + 0ak ′ )] = − ak ′δ k ′kδ n1 . ω s (k ) = ck ⋅Θ(k D − k ) .5). ak ′ ] = [n −1 a−k .

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UsefulNot usefulcanonical transform to diagonalize hamiltonian representing a localized electronic level in a phonon bath

canonical transform to diagonalize hamiltonian representing a localized electronic level in a phonon bath

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