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My PhD thesis - Condensed Matter Theory - Imperial College London

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CHAPTER 6. THE MODIFIED PERIODIC COULOMB INTERACTION IN<br />

QUASI-2D SYSTEMS<br />

The solution is therefore<br />

⎧<br />

2κ<br />

G(z, z ′ ; k ‖ ) = − 1 ⎪⎨ e k ‖z−κz ′ z < 0<br />

κ + k ‖ ( )<br />

2κ<br />

κ − k‖<br />

⎪⎩ e −κ|z−z′| + e −κ(z+z′ )<br />

z > 0<br />

κ + k ‖<br />

An identical method gives the Green’s function when z ′ < 0:<br />

( )<br />

⎧⎪<br />

G(z, z ′ ; k ‖ ) = − 1 ⎨ e −k ‖|z−z ′| k‖ − κ<br />

+ e −k ‖(z+z ′ )<br />

z < 0<br />

k ‖ + κ<br />

2k ‖ ⎪<br />

2k ‖<br />

⎩<br />

k ‖ + κ ek ‖z ′ −κz<br />

z > 0<br />

(z ′ > 0). (6.58)<br />

(z ′ < 0). (6.59)<br />

The Green’s function has the required symmetry property G(z, z ′ ; k ‖ ) = G(z ′ , z; k ‖ ).<br />

Once G(z, z ′ ; k ‖ ) is known, the potential may be obtained by integration:<br />

δ ˜φ tot (k ‖ , z) =<br />

∫ ∞<br />

−∞<br />

(<br />

)<br />

G(z, z ′ 4π<br />

k<br />

; k ‖ )<br />

2 L 2√ 2πσ 2 e−σ2 ‖ /2 e −(z′ −z 0 ) 2 /2σ 2 dz ′ . (6.60)<br />

Since the aim is to calculate the induced change in the charge density (which is<br />

proportional to the original density, and hence zero outside the slab), it is only<br />

necessary to consider the region z > 0. The integration then gives<br />

(<br />

) [ ∫<br />

δ ˜φ 4π<br />

0<br />

k<br />

tot (k ‖ , z) = −<br />

2 L 2√ 2πσ 2 e−σ2 ‖ /2<br />

+ 1<br />

2κ<br />

+ 1<br />

2κ<br />

= − π<br />

L 2 κ<br />

−∞<br />

1<br />

κ + k ‖<br />

e k ‖z ′ −κz e −(z′ −z 0 ) 2 /2σ 2 dz ′<br />

( ) ∫ κ − ∞ k‖<br />

e −κ(z+z′) e −(z′ −z 0 ) 2 /2σ 2 dz ′<br />

κ + k ‖<br />

∫ z<br />

0<br />

[<br />

0<br />

e −κ(z−z′) e −(z′ −z 0 ) 2 /2σ 2 dz ′ + 1 ∫ ]<br />

∞<br />

e −κ(z′ −z) e −(z′ −z 0 ) 2 /2σ 2 dz ′<br />

2κ z<br />

( ( ))<br />

2κ<br />

e −κz+k z0<br />

‖z 0<br />

+ k ‖ σ 2<br />

1 − erf √<br />

κ + k ‖ 2σ<br />

+ κ − k ‖<br />

(κ + k ‖ ) e(κ2 −k 2 ‖ )σ2 /2−κz−κz 0<br />

(<br />

1 + erf<br />

+ e (κ2 −k 2 ‖ )σ2 /2−κz+κz 0<br />

(<br />

erf<br />

(<br />

z0 − κσ 2<br />

√<br />

2σ<br />

))<br />

( ) ( ))<br />

z − z0 − κσ 2 z0 + κσ 2<br />

√ + erf √<br />

2σ 2σ<br />

( ))<br />

+ e (κ2 −k‖ 2 )σ2 /2+κz−κz 0<br />

(1 ] z − z0 + σ 2 κ<br />

− erf √ .<br />

2σ<br />

(6.61)<br />

98

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