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Optical and Quantum Electronics 29 (1997) 199±216 Green's functions for Maxwell's equations: application to spontaneous emission F . W I J N A N D S , J . B . P E N D R Y , F . J . G A R C I A - V I D A L , P. M. BELL Condensed Matter Theory Group, The Blackett Laboratory, Imperial College, Prince Consort Road, London SW7 2BZ, UK P. J. ROBERTS Defence Research Agency, St Andrew's Road, Great Malvern, Worcs. WR14 3PS, UK L . M A R T ÂI N M O R E N O Instituto de Ciencia de Materiales (Sede B), Universidad AutoÂnoma de Madrid, 280049 Madrid, Spain Received 2 January; accepted 10 June 1996 We present a new formalism for calculating the Green's function for Maxwell's equations. As our aim is to apply our formalism to light scattering at surfaces of arbitrary materials, we derive the Green's function in a surface representation. The only requirement on the material is that it should have periodicity parallel to the surface. We calculate this Green's function for light of a speci®c frequency and a speci®c incident direction and distance with respect to the surface. The material properties entering the Green's function are the re¯ection coef®cients for plane waves at the surface. Using the close relationship between the Green's function and the density of states (DOS), we apply our method to calculate the spontaneous emission rate as a function of the distance to a material surface. The spontaneous emission rate can be calculated using Fermi's Golden Rule, which can be expressed in terms of the DOS of the optical modes available to the emitted photon. We present calculations for a ®nite slab of cylindrical rods, embedded in air on a square lattice. It is shown that the enhancement or suppression of spontaneous emission strongly depends on the frequency of the light. 1. Introduction The Green's function is an extremely useful concept in, for example, scattering problems or problems in which the density of states (DOS) plays an important role [1]. Green's functions for Maxwell's equations have been used, for example, for calculating modal ®eld solutions in waveguides, regarding the waveguide as a perturbation of homogeneous space Present address: R&D Devices, Hewlett-Packard Fiber-Optic Components Operation, White House Road, Ipswich, Suolk IP1 5PB, UK. 0306±8919 Ó 1997 Chapman & Hall 199 F. Wijnands et al. [2]. In a recent paper, Martin et al. [3] used the Green's function as a propagator to calculate the scattered ®eld, given an arbitrary incident ®eld, for arbitrary geometries. Often one is interested in the DOS of optical modes. For instance, the spontaneous emission rate is directly related to the DOS of optical modes available to the spontaneously emitted photon. The DOS, in turn, can be modi®ed by changing the environment in which the emitting atom is put. The control of spontaneous emission is one of the major motivations for studying photonic band structures, and in particular, photonic bandgap structures [4]. These have been studied both theoretically (e.g. [5±7]) and experimentally (e.g. [8]). In a photonic bandgap material, spontaneous emission is prohibited inside the forbidden frequency band [4]. Of particular interest is modi®cation of spontaneous emission in microcavities [9]. This has a large technological impact on threshold-reduced lasers [4]. Another area in which the DOS is relevant, is dispersion forces. These are Van der Waals forces originating from the vacuum ¯uctuations, or zero-point ¯uctuations, in the quantized electromagnetic ®eld [10]. Dispersion forces are relevant in calculating, for example, the force between the tip of an atomic force microscope and the surface of a material when the distance is suciently large. Because of this interest in the DOS in surface geometries, and because of the close relationship between the DOS and the Green's function, it would be very useful to have a Green's function formalism which is appropriate for surface geometries. In order to study surfaces of fairly arbitrary materials theoretically, there is a strong need for a computational approach, because complex geometries cannot be treated analytically in general. We have developed a formalism to calculate the Green's function in the presence of a surface. As will be shown, the material properties entering the Green's function are the re¯ection coecients for plane waves at the surface. These re¯ection coecients can be calculated using a transfer matrix method, derived by Pendry et al. [11±13]. The paper is organized as follows. In Section 2 we set up the Green's function which is appropriate for our surface problem in continuous space. In Section 3 we derive the Green's function on a lattice, necessary for our computational approach. The DOS calculated with the Green's function, is compared in Section 4 with independent derivation of the DOS using a `particle in a box' approach, for a metal surface. In Section 5 we apply our method to spontaneous emission. We calculate vacuum ¯uctuations near a ®nite slab of cylindrical dielectric rods embedded in air on a square lattice. Conclusions are given in Section 6. 2. The Green's function in continuous space We start from the source-free Maxwell equations: rH @D ; @t rEÿ @B @t 1 Assuming a time dependence exp ÿixt, and using B l0 lH; D e0 eE; the Maxwell equation for the electric ®eld reads: c2 r r E ÿ r2 E x2 E 2 with c2 1= l0 le0 e: The Fourier-transform of the Maxwell equations is given by ik E ixB 200 3 Green's functions for Maxwell's equations ik H ÿixD 4 whereas the Fourier-transform of Equation 2 reads: c2 k k ÿ kkT E M0 E x2 E 5 2.1. Green's function in homogeneous space First, we set up the Green's function in an in®nite homogeneous space of dielectric constant e: Start with the Green's function in k-representation (cf. Equation 5): x2 1 ÿ M0 G0 x2 1 6 Notice that since electric ®elds are vector ®elds, the Green's function is a tensor. It is called a dyadic Green's function [14]. The causal Green's function in the k-representation is de®ned as: X jEj ihEj j ÿ1 0 2 2 7 G 0 x x 1 ÿ M id1 2 2 j x ÿ xj id with d P > 0 in®nitesimally small. Here fjEj ig is a complete set of eigenvectors in k-space, hence j jEj ihEj j 13 : The causal Green's function in real space reads: 2 0 2 0 G 0 x ; r; r h rjG0 x jr i X hrjEj ihEj jr0 i; j x2 ÿ x2j id X Ej rEjT r0 j x2 ÿ x2j id 8 Now de®ne normalized electric ®eld vectors for the three polarizations s; p; l; w.r.t. the normal ^n 0; 0; 1T : ^vrs k^ n ; jk ^ nj which take the explicit form 2 3 k 14 y 5 ^vrs ÿkx ; kk 0 ^vrp ^vrp k k ^n ; jk k ^nj 2 3 kx kz 4 ky 5 ; kk k ÿk 2 =k k ^vrl ^vrl z k jkj 2 3 k 14 x 5 ky k kz 9 10 with k jkj and kk jkk j; kk kx ; ky : The corresponding real space eigensolutions are Ek;r r ^vr Lÿ3=2 expi k r ÿ xk;r t We have normalized these eigensolutions such that Z Ek;r rT Ek;r rd3 r 1 r s; p; l 11 12 In Fourier-space this corresponds to a normalization, ^vTr ^vr 1; r s; p; l In terms of normalized eigenvectors, the Green's function reads ( ) T X ^vs^vTs ^vp^vTp ^ ^ v v l 2 0 l G Lÿ3 exp ik r ÿ r0 0 x ; r; r x2 ÿ c2 k 2 id x2 id k 13 14 201 F. Wijnands et al. As we are interested in surface geometries, it is appropriate to distinguish between waves vÿ going in the positive ^v r and in the negative ^ r z-direction. In particular, we are interested in the response of the system at z g; given an excited plane wave at z0 0 having wave vector component kk parallel to the surface. This response is described by the Green's function in a surface representation. As this Green's function is de®ned in terms of a given incident kk ; we have to sum over kz instead of k. The Green's function then reads ( ) T T T X ^v v v v ^v v s ^ p^ s ^ p 2 0 l l ^ 2 Lÿ1 15 lim G0 x ; kk ; z g; z 0 2 ÿ c2 k 2 id g!0 x x id kz R P with g > 0: Replacing the summation by an integral, k z ! L=2p dkz ; the Green's function becomes q i ÿi h T T 2 0 ^vs ^vs ^v v ; Kz x=c2 ÿ kk2 id lim G p p^ 0 x ; kk ; z g; z 0 2 g!0 2c Kz 16 2.2. Green's function in presence of a surface Consider a surface at a distance d > 0 from the position at which the plane wave is excited. This surface can be taken account of by modifying the boundary conditions for the Green's function. We assume the slab to be periodic in the xy-plane with lattice K. This lattice has a rectangular unit cell with lengths Lx ; Ly in x; y respectively. Denote the twodimensional reciprocal lattice vectors by g 2 K . Consider an incident plane wave going in 0 0 0 the z direction ^v r0 g0 (hence g 0), and polarization r r s or p. The scattered wave at z g (with g ! 0 ) is a superposition of plane waves going in the ÿz direction ^vÿ rg g 2 K times a re¯ection coecient R rg;r0 g0 times optical path terms to and from the 0 0 surface exp iKzg jd ÿ z j exp iKzg jd ÿ zj . The Green's function reads i ÿi h T T ^vsg0 ^vsg0 ^v v lim G x2 ; kk ; z g; z0 0 2 pg0 pg0 ^ g!0 2c Kzg0 i T X X ÿi h ÿ 0 0 0 v expiK dR expiK d^ v zg rg;r g zg r0 g 0 rg ^ 2K 0 2c zg g r;r0 17 where we summed over g 2 K ; r; r0 2 fs; pg, and Kz^g is the z-component of the incident wave vector (with g0 0). Notice that, as for the scalar case [1], the dyadic Green's function appears in pair terms: the right term (with superscript `T') denotes the excited wave at z0 , whereas the left term denotes the response of the system at z. 3. Green's function on a lattice In our numerical approach, space is discretized to form a cubic mesh with unit mesh length a (more generally we can treat orthorhombic meshes). Recall that the material at the surface of which scattering occurs, has a rectangular unit cell length Lx ; Ly in x; y respectively. Consequently, the number of reciprocal lattice vectors is Lx =a Ly =a. In order to determine the Green's function (Equation 17) numerically for a given slab of material, the re¯ection coecients Rrg;r0 g0 can be calculated using a transfer matrix method 202 Green's functions for Maxwell's equations derived by Pendry et al. [11±13]. In this method, Maxwell's equations (Equations 1) are transformed into a transfer matrix set of equations, which is appropriate for a numerical approach. The most important steps are the following. First the Maxwell equations (Equations 1) are Fourier transformed. A crucial step is to approximate the wave vector in Equation 3 as kj exp ikj a ÿ 1=ia kjE j x; y; z 18 while in Equation 4 we approximate kj ÿ exp ÿikj a ÿ 1=ia kjH j x; y; z 19 Subsequently the equations are inverse Fourier-transformed, leading to a set of equations which can be cast in transfer matrix form F z Dz T zF z 20 This transfer matrix T z is not Hermitian. Hence, we have to distinguish between right ÿ ÿ eigenvectors ^vrrg and left eigenvectors ^vlrg . Another aspect to be mentioned is that the eigenvectors of the transfer matrix are given by Ex ; Ey ; Hx ; Hy -components, whereas the Green's function eigenvectors are Ex ; Ey ; Ez -components. Hence one must be careful in using the re¯ection coecients obtained with the transfer matrix method, in the Green's function. The interested reader is referred to Appendix 1 where we derive left and right eigenvectors for both the transfer matrix and the Green's function, and the consequences for the re¯ection coecients. The discrete equivalent of the normalization condition (Equation 13) is ^vlrg T ^vrg ^vlrg T ^vrrg 1; ÿ ÿ 8r 2 fs; pg; 8g 2 K 2 21 2 2 On a lattice, the dispersion relation diers from x c k , and is given by [13]: X x2 l0 e0 e k E k H 2=a2 1 ÿ cos kj a 22 jx;y;z Now we are in a position to formulate the Green's function on a lattice in the presence of a single surface: h T i ÿia T ^vrsg0 ^vlsg0 ^vrpg0 ^vlpg0 lim G x2 ; kk ; z g; z0 0 2 g!0 2c sin Kzg0 a X X g r;r0 h i T ÿia rÿ l 0 dRrg;r0 g0 exp iKzg d^ ^vr0 g0 exp iK v zg rg 2c2 sin Kzg0 a 23 where r; r0 2 fs; pg; g runs over all reciprocal lattice vectors, and g0 0. Note that due to the discrete dispersion relation (Equation 22), the pole term in the continuous case 1= 2c2 Kzg0 has to be replaced by a= 2c2 sin Kzg0 a. Notice that the continuous result is recovered in the limit a ! 0. It is vital to have a general `intrinsic' test for the correctness of our computer codes, based upon Equation 23. As Pendry [12] pointed out, current conservation is sensitive to the slightest error in computer codes. As we can calculate re¯ection and transmission coecients for a ®nite slab of material, we can test current conservation. In Appendix 2 it is shown how current conservation is tested both for the transfer matrix basis and for the Green's function basis. 203 F. Wijnands et al. 4. DOS for Green's function compared with `particle in box' approach To illustrate that our Green's function (Equation 17) has been properly normalized, we now compare the DOS according to the Green's function, with the DOS calculated according to a `particle in a box' approach. The DOS is related to the imaginary part of a Green's function [1]. For scalar ®elds, the Green's function is also a scalar [1]. The DOS for tensor Green's functions is slightly more complicated. We de®ne DOS x; kk ; zjj IG x; kk ; z; zjj 2x IG x2 ; kk ; z; zjj ÿp ÿp where we have taken into account that the Green's function was de®ned in terms of x2 instead of x, hence the factor dx2 =dx. We treat the case of TE or TM polarized waves in the presence of a metal surface. Consider two metal plates, both with normal along z, at position z 0 and z L (later, we shall let L ! 1). Owing to the boundary conditions, Ek ; H? should be continuous. The general solution is then of the following form. We treat TE and TM modes separately. · TE modes (s waves). Without loss of generality, we may assume that ky 0. 2 3 0 E 4 N sin kz z / 5 0 24 Owing to the continuity of Ek , it follows that sin kz z / 0 for z 0, z L, hence kz np=L n 2 Z and / 0. The normalization constant N is found from the condition r Z L L 2 25 dzN E E 1 ) N 1= 2 0 Now let L ! 1. Then, as the electric ®eld is along y, we can de®ne dn L sin2 kz z x; kk ; zyy dkz p L=2 so that the DOS along y is 26 dn dn dkz L sin2 kz z x 2x sin2 kz z x; kk ; zyy x; kk ; zyy 27 dx dkz dx p L=2 c2 kz pc2 kz Let us compare this with the Green's function. Inserting the two polarization eigenvectors (Equations 10) in the continuous expression for the Green's function containing both polarizations (Equation 17), we obtain ÿi G x2 ; kk ; z; z 2 2c kz 8 2 32 3T 2 32 3T ky ky ky ky > <1 6 76 7 Rss exp 2ikz z 6 76 7 4 ÿkx 54 ÿkx 5 4 ÿkx 54 ÿkx 5 2 > kk2 : kk 0 0 0 0 204 Green's functions for Maxwell's equations 32 3 2 32 3 9 kx kz ÿkx kz kx kz T kx kz T > = 1 4 ky kz 54 ky kz 5 Rpp exp 2ikz z 4 ÿky kz 54 ky kz 5 kk2 x=c2 ÿk 2 kk2 x=c2 ; ÿkk2 ÿkk2 ÿkk2 > k 2 28 Here Rss and Rpp are the Fresnel re¯ection coecients, which are Rss ÿ1 and Rpp 1 for a perfect metal. For TE waves 82 3 2 3 T 2 32 3T 9 0 0 0 = 0 < ÿi 2 4 5 4 5 4 4 5 x ; k ; z; z ÿ exp 2ik z 1 29 1 G 15 1 z k TE ; 2c2 kz : 0 0 0 0 Therefore the Green's function takes the form ( ÿi 1 ÿ cos 2k z z 2 I GTE x ; kk ; z; z jj 2c2 kz 0 Hence the DOS in the yy-direction can be written as 2 2 IG TE x ; kk ; z; zyy d x ÿp Clearly, Expressions 27 and 31 agree. dx j y j x; z 2x sin2 kz z pc2 kz · TM modes (p waves). We assume again that ky 0. A general solution is of the form 2 3 2 3 kz M sin kz z / 0 1 4 5 0 H 4 M cos kz z / 5; E ÿixe0 e 0 ikx M cos kz z / 30 31 32 The continuity of Ek implies that sin kz z / 0 for z 0, z L, hence kz np=L and / 0. The normalization constant N M= xe0 e, is found from the condition r r Z L L L 2 2 2 2 x=c = 33 dzN E E 1 ) N kx kz = 2 2 0 Again let L ! 1. Then 8 kz2 2 > > j x > 2 sin kz z > < x=c dn dn dkz 2x 0 j y 34 x; kk ; zjj > dx dkz dx pc2 kz > 2 > k > x : cos2 kz z j z x=c2 The Green's function takes the form ÿi 1 2c2 kz k 2 x=c2 k 82 32 3T 2 32 3 9 ÿkx kz k k k k kx kz T > x z > < x z = 6 0 76 0 7 6 76 7 4 54 5 exp 2ikz z4 0 54 0 5 > > : ÿk 2 ÿkk2 ÿkk2 ÿkk2 ; k 2 G TM x ; kk ; z; z 35 leading to a DOS: 205 F. Wijnands et al. 8 kz2 2 > > j x > 2 sin kz z > 2 < x=c 2 IGTM x ; kk ; z; zjj d x 2x 2 0 j y ÿp dx pc kz > 2 > > k > x : cos2 kz z j z x=c2 Comparing Equations 34 and 36, the two approaches give the same result. 36 5. Application: spontaneous emission in presence of a surface In this section we apply our numerical technique to calculate spontaneous emission in the presence of a surface. The spontaneous emission rate Sj for dipole transitions oriented in the jth direction j x; y; z of an isolated two-level atom is given by Fermi's Golden Rule [15]: X 2p 2 hf jHint jiij d x ÿ x0 37 Sj x 2 h f with Hint the interaction Hamiltonian between atom and electromagnetic ®eld, x0 is the frequency of the photon emitted due to an electronic transition from initial state jii to some ®nal state jf i. We have to sum over all ®nal states of the electromagnetic ®eld for x. The radiative lifetime 1=trad x of an atomic transition is then given by which x0 P 1=trad x jx;y;z Sj x. Equation 37 can be rewritten as X 2p hf jE ^ j jii2 d x ÿ x0 Sj x 2 l2 38 h f ^ j the electric ®eld operator in second with l the electric dipoleP moment of the atom and E hf jE ^ j jii2 d x ÿ x0 represents the vacuum ¯uctuations. The quantization. The term f P sum f d x ÿ x0 can be replaced by an integral over all directions, summed over both transverse polarizations for electromagnetic plane waves with frequency x. These vacuum ¯uctuations can be expressed in terms of a classical DOS, each state having an energy hx=2 for each transverse polarization [16]. We are interested in the vacuum ¯uctuations in homogeneous space with dielectric constant e, at a distance z from some surface with normal along z. The vacuum ¯uctuations in the j-direction, say Vj , are given by Z dkk hx DOS x; kk ; zrad jj Vj x; z 2 2 2p 1 39 DOS x; kk ; z e 1 IG x; kk ; z; z 2x IG x2 ; kk ; z; z ÿp ÿp e e The reason that the radiation DOS, denoted DOSrad , entering the vacuum ¯uctuations is a factor e smaller than the total DOS, is the following. If each mode carries an energy hx=2, then we should in fact have normalized the eigenvectors such that Z 40 e rEk;r rT Ek;r rd3 r 1 r s; p; l DOS x; kk ; zrad 206 Green's functions for Maxwell's equations This means that the normalized electric ®eld vectors in Equations 9 and 11 have to be multiplied by a factor eÿ1=2 , with a consequence that the Green's function describing spontaneous emission is a factor 1=e smaller. This result is consistent with recent results by Lagendijk et al. [17] and Sprik et al. [18]. They point out that in fact only part of the total DOS contributes to the Einstein coef®cient describing spontaneous emission. The total DOS (equal to IG x; kk ; z; z= ÿp is divided into a radiation part and a material part. Only the radiation part (the DOS in Equation 39), which scales as e1=2 , enters the Einstein coef®cient. Hence the Green's function (Equation 23) corresponds to the total DOS. In order to calculate spontaneous emission, we use Equation 39. Notice that eigenfunction methods need a weighting function to solve this problem [19, 20]. An advantage of the Green's function approach is that it naturally describes systems with losses. Such systems are not easily describable in terms of wavefunctions. In in®nite homogeneous space, the vacuum ¯uctuations can be readily calculated by multiplying Equation 16 by 1=e hx=2 and integrating over all directions kk Vj x 1 hx3 hx 3 e1=2 ; e 6p2 c3 6p2 c30 j x; y; z 41 of light in free space. Hence the total vacuum in accordance with [15]. P Here c0 is the speed hx3 e1=2 =2p2 c30 . ¯uctuations V x jx;y; z Vj x We apply our numerical technique to calculate vacuum ¯uctuations in air as a function of the distance to a ¯at surface of a ®nite slab. The slab consists of eight layers of cylindrical rods of dielectric constant e 8:9, embedded in air on a square lattice. The rods are invariant in the direction y, and the square lattice in the xz-plane has unit cell length L 1:87 mm. The diameter of the rods is 0.74 mm (notice that these lengths can be scaled down to optical length scales). The geometry of this structure is shown in Fig. 1. The photonic band structure (the dispersion relation kz x; kk has been studied experimentally [21] and theoretically [11, 13, 21] for normal incidence, and for light polarized parallel (along y) and perpendicular (along x) to the cylinders. Because interesting eects are due to strong suppression or enhancement of spontaneous emission, we must choose the frequency suitably. We expect the modi®cation in spontaneous emission to be largest if re¯ection coecients at the surface have a large modulus (in order to get large interference eects between incident and scattered waves). In absorption-free materials, if the material would have a complete photonic bandgap (i.e. a frequency band in which the transmittance is zero irrespective of the incident direction and polarization), then we would expect the re¯ection coecients to have a large modulus. Our structure does not have a complete photonic bandgap. In Fig. 2 we show for s- and ppolarization the photonic band structure (Figs 2a, c) and the transmission coecient (Figs 2b, d) for waves incident at 30 o the normal, with parallel wave vector kk k=2; 0. The number of mesh points per unit cell is Nx Nz 11, Ny 1. The transmission coecient is the transmitted current in the z-direction, given an incident wave carrying unity current in the z-direction (cf. Appendices 1 and 2). Comparing Fig. 2 with Fig. 5 of [13], we can see that there is no complete bandgap. However, we can choose x to lie in a bandgap for a large range of incident directions. We shall compare x 5:0 10ÿ5 eV which is well below the bandgaps, and x 2:7 10ÿ4 eV which is in a bandgap for a wide range of angles, especially for s-polarized incident waves. First we test the minimal number of mesh points needed to obtain convergence in the calculations. In Fig. 3 we plot ÿIG x2 ; kk 0; z; zjj , calculated using Equation 23 for 207 F. Wijnands et al. Figure 1 Geometry of the structure, described in the text. The structure consists of cylindrical rods on a square lattice in the xz-plane with unit cell length L 1:87 mm. The rods have diameter d 0:74 mm and dielectric constant e 8:9, are invariant in the y-direction and are embedded in air. A ®nite slab of eight layers of rods in the z-direction is considered, the structure is in®nitely long in the x -direction. x 2:7 10ÿ4 eV, as a function of surface distance, in units of the free space wavelength, Z z=k0 . The calculations were performed for normal incidence, both for y-polarized light ( j y, Fig. 3a) and for x-polarized light ( j x, Fig. 3b), and we varied the number of mesh points, Nx Nz 18, 30, 50, 70. In all calculations Ny 1. In order to avoid stability problems for large Nz , the unit cell was subdivided into smaller parts, consisting of typically ten or less layers. For each part, we calculated re¯ection and transmission coecients. Re¯ection and transmission coecients of the dierent parts were then combined to give the corresponding coecients of the whole unit cell using a multiple re¯ection formula [12]. From Fig. 3 it becomes clear that the denser the mesh, the more the results converge. The reason is the basic approximation (18), (19) of our transfer matrix approach. The smaller the value of k0 a (recall that a L=Nx ), the more accurate these approximations are. The dierent calculations in Fig. 3 are labelled by their value of k0 a. Comparing Fig. 3a and Fig. 3b, it can be seen that for light polarized parallel to the cylinders, the convergence is much faster as a function of the mesh size than for light polarized perpendicular to the cylinders. The reason is that for the electric ®eld parallel to the cylinders, no discontinuity occurs at the interface. In order to model the discontinuity at the interface for the x-polarized ®eld, many more mesh points are needed than would be the case without a discontinuity. In order to calculate vacuum ¯uctuations for this structure, we can conclude from Fig. 3 that Nx Nz 30, is sucient. Here we make a few remarks. 208 Green's functions for Maxwell's equations Figure 2 Photonic band structure kz L as a function of x for s- (a) and p-waves (c) and transmission coef®cients ÿ for s- (b) and p-waves (d) for the structure described in the text, for incident parallel wave vector kk 12 ; 0 jk j. The number of mesh points per unit cell Nx Nz 11, Ny 1. Here L is the unit cell length in the xz-direction. 209 F. Wijnands et al. Figure 3 Minus the imaginary part of Green's function ÿIG x2 ;kk 0; z; z as a function of the surface distance Z z=k0 for the cylindrical structure described in the text. The calculation was done for normal incidence, both for y - (a) and x- (b) polarized light, with x 2:7 10ÿ4 eV, and number of mesh points Nx Nz 18; 30; 50; 70. In all calculations, Ny 1. First, if Nx Nz 30 is sucient for x 2:7 10ÿ4 eV, then this number will certainly be sucient for x 5:0 10ÿ5 eV, with regard to the approximations (18) and (19). Secondly, the results in Fig. 2 have not fully converged because that calculation was performed with Nx Nz 11. Nevertheless, Fig. 2 still gives a strong indication which range of x is interesting for our vacuum ¯uctuations problem. In Fig. 4 total vacuum ¯uctuations in the x-, y- and z-direction are shown for x 5:0 10ÿ5 eV (Fig. 4a) and x 2:7 10ÿ4 eV (Fig. 4b), in units of the free space value hx3 = 6p2 c30 , as a function of surface distance Z z=k0 . The number of mesh points per unit cell, Nx Nz 30, Ny 1 k0 a 0:0158. From Fig. 4 we see that the vacuum ¯uctuations (and therefore the spontaneous emission rate (cf. Equation 38) in the x-direction, Vx ¯uctuate much more around their free space value (which is normalized to one) for x 2:7 10ÿ4 eV than for x 5 10ÿ5 eV. Near the surface, Vx is more suppressed for x 2:7 10ÿ4 eV than for x 5 10ÿ5 eV. For the vacuum ¯uctuations in the direction of the cylindrical axis, Vy , the ¯uctuations around the free space value are much more pronounced for x 2:7 10ÿ4 eV than for x 5 10ÿ5 eV, especially close to the surface. For Vz , the behaviour for x 2:7 10ÿ4 eV and for x 5 10ÿ5 eV is much more similar. We believe that the reason that the effects are much more pronounced for the two transverse directions than for the longitudinal direction, is that for x 2:7 10ÿ4 eV the re¯ection coef®cients have a much larger modulus than for x 5:0 10ÿ5 eV for a wide range of incident angles, 210 Green's functions for Maxwell's equations Figure 4 Total vacuum ¯uctuations in units of free space value h x3 = 6p2 c03 in x ; y - and z-direction as a function of the surface distance Z z=k0 for the cylindrical structure described in the text, for frequencies x 5:0 10ÿ5 eV (a) and x 2:7 10ÿ4 eV (b), and number of mesh points Nx Nz 30, Ny 1. especially for s-polarized waves (cf. Figs 2b, d). As the s-polarized waves have no electric ®eld component along z, this would explain why the difference between the two energies is much less pronounced for Vz than for Vx and Vy . Notice that for large Z, the vacuum ¯uctuations can be seen to approach their free space value. 6. Conclusions We have presented a new Green's function formalism, appropriate for studying scattering problems in surface geometries. We have shown that for the continuous case, the DOS calculated with our Green's function, is exactly the same as the DOS according to a `particle in a box' approach. We have applied our lattice Green's function technique to calculate vacuum ¯uctuations in the presence of the surface of a ®nite slab consisting of cylindrical dielectric rods embedded in air on a square lattice. The results have shown that the enhancement or suppression of spontaneous emission strongly depends on the frequency of the light. The accuracy of our method depends on the approximation of the wave vectors in the transfer matrix. The smaller the mesh, the more accurate the calculation will be, at the expense of computer time. Acknowledgements F.W. thanks A. Lagendijk for interesting discussions, and for showing two manuscripts prior to publication. 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ISRAELACHVILI, Intermolecular and Surface Forces, Forces, 2nd edn (Academic Press, London, 1991). J. B. PENDRY, and A. MACKINNON, Phys. Rev. Lett. 69 (1992) 2772. J. B. PENDRY, J. Mod. Opt. 41 (1994) 209. P. M. BELL, J. B. PENDRY, L. MARTIN MARTIÂN MORENO and A. J. WARD, Comp. Phys. Comm. 85 (1995) 306. R. E. COLLIN, Field Theory of Guided Waves (IEEE Press, New York, 1991). R. LOUDON, The Quantum Theory of Light (Clarendon Press, Oxford, 1983). E. SNOEKS, A. LAGENDIJK and A. POLMAN, Phys. Rev. Lett. 74 (1995) 2459. A. LAGENDIJK and B. A. VAN TIGGELEN, Phys. Rep. 270 (1996) 143. R. SPRIK, A. LAGENDIJK and B. A. VAN TIGGELEN, in Photonic Band Gap Materials, Materials, edited by Semiconductor Lasers (Wiley, New York, 1991) 561. C. M. Soukoulis (Kluwer, Dordrecht, 1996) p. 679. 19. H. KHOSRAVI and R. LOUDON, Proc. R. Soc. Lond. A 433 (1991) 337. 20. H. KHOSRAVI and R. LOUDON, Proc. R. Soc. Lond. A 436 (1992) 373. 21. W. M. ROBERTSON, G. ARJAVALINGAM, R. D. MEADE K. D. BROMMER, A. M. RAPPE and J. D. JOANNOPOULOS, Phys. Rev. Lett. 68 (1992) 2023. Appendix 1 The central problem in this appendix is: suppose we know re¯ection and transmission coecients through a ®nite slab of material on a plane wave basis (in our case the transfer matrix basis), then how does the value of these coecients change when going to another basis (in our case the Green's function basis). A1.1. Basis and re¯ection coef®cients for transfer matrix In the transfer matrix method, eigenvectors are constructed as follows. First, for given incident parallel wavevector kk , with each reciprocal lattice vector g we associate a total parallel wave vector given by kk g. Then kz follows from dispersion relation (22) in the main text. Next, we construct vectors kEg and kH g according to Equations 18 and 19 of the main text, respectively. De®ne polarization states i 0 E H n; H k k n Esg kH g sg g ax2 e0 l0 g i ia H0pg Hpg kEg n; Epg kH kEg n axe0 e g where we introduced the reduced magnetic ®eld H0 i=axe0 H. Next, de®ne normalized six-component s- and p-polarization vectors: " ^vr6;sg Nsg 212 Esg H0sg # 2 N sg 4 kH g n 3 5 i=ax2 e0 l0 kEg kH g n Green's functions for Maxwell's equations ^vr6;pg Npg Epg H0pg " Npg # ia kH kE n g e g kEg n A1:1 The Nsg , Npg are normalization factors such that the electromagnetic wave carries unity current in the z-direction, provided the wave is not evanescent (cf. Appendix 2). As only four of the six electromagnetic components are independent, we choose as right eigenvectors of the transfer matrix the Ex ; Ey ; Hx0 ; Hy0 -components of the six vectors: h iT ^vr4;rg Ex ^vr ; Ey ^vr ; Hx0 ^vr ; Hy0 ^vr 6;rg 6;rg The left eigenvectors are de®ned as 2 3 0 ÿ1 0 0 61 0 0 0 7 6 a2 x 2 7 6 7 r 0 0 0 7 ^vl4;sg 6 6 c20 e 7^v4;pg ; 6 7 2 2 4 5 ax 0 0 ÿ 2 0 c0 e 6;rg 2 ^vl4;pg 0 61 6 6 0 6 6 6 4 0 6;rg ÿ1 0 0 0 0 0 0 ÿ a2 x 2 c20 e 3 0 0 7 a2 x 2 7 7 r 7 c20 e 7^v4;sg 7 5 0 Finally the left eigenvectors are normalized: ^vl4;rg T ^vr4;rg 1 A1:2 The re¯ection and transmission coecients denote the following. Consider an incident right eigenvector ^vr4;r0 g0 travelling in the z-direction. This wave enters a slab of material. Eventually, we end up with a transmitted ®eld at the far end and a re¯ected ®eld at the incident surface of the slab. The re¯ection coecient Rrg;r0 g0 ^v4 denotes the re¯ected ®eld, ÿ projected upon the left eigenvector ^vl4;rg . But due to Equation A1.2, this projected ®eld ÿ corresponds to a re¯ected wave R1;rg;r0 g0 ^v4 ^vr4;rg , moving in the ÿz-direction. The transmission coecient Trg;r0 g0 ^v4 denotes the transmitted ®eld, projected upon the left eigenvector ^vl4;rg . This projected ®eld corresponds to a transmitted wave Trg;r0 g0 ^v4 ^vr4;rg , moving in the z-direction. This agrees with our intuitive interpretation of the re¯ection and transmission coecient. A1.2. Basis and re¯ection coef®cients for Green's function The electric ®eld right eigenvectors can be chosen to be just the E-components of the sixcomponent eigenvectors, de®ned in Equation A1.1. The right and left eigenvectors are then de®ned as ÿ ^vr3;sg Nsg kH g ÿ ^vr3;pg Npg ÿ ^vl3;sg ÿ ^vl3;pg ÿ n ia Hÿ ÿ k kEg n eref g ÿ Lsg kEg ÿ Lpg kEg ÿ kH g ÿ kH g ÿ kEg A1:3 n n Here Lsg , Lpg are chosen such that the normalization condition (21) of the main text, is satis®ed. It can be checked that with this de®nition of the left eigenvectors, the orthogonality relations are ful®lled. 213 F. Wijnands et al. The choice (A1.3) is not the most general choice, however. If we would multiply every right eigenvector by some complex number a, and the corresponding left eigenvector by 1=a (with regard to Equation 21 in the main text), that would be a valid choice as well. Hence the most general choice for our normalized right and left eigenvectors is ÿ H ^vr3;sg aÿ sg Nsg kg ÿ ^vr3;pg aÿ pg Npg 1 ÿ ^vl3;sg aÿ sg 1 ÿ ^vl3;pg aÿ pg ÿ n ia Hÿ ÿ k kEg n eref g Lsg kEg ÿ kH g ÿ KH g Lpg kEg ÿ kEg ÿ ÿ n A1:4 n The most appropriate choice, however, is the choice (A1.3) a rg 1; aÿ rg 1; 8r; 8g The reason is that for this choice, the right eigenvectors of the transfer matrix and of the Green's function both refer to exactly the same electromagnetic wave. In that case the re¯ection coecients, obtained with the transfer matrix method, can be directly inserted in the Green's function. If the electromagnetic waves corresponding to four-component and three-component eigenvectors are scaled with respect to each other (as is the case for the general choice (A1.4), then the re¯ection and transmission coecients have to be renormalized when going from one basis to the other basis, as follows. A1.3. Transformation of re¯ection and transmission coef®cients for change of basis Consider waves travelling in the z-direction, incident on a slab of material. Suppose we know re¯ection and transmission coecients Rrg;r0 g0 ^v4 and Trg;r0 g0 ^v4 on the transfer matrix four-component basis. Suppose the basis set used for the Green's function is in the ÿ class (A1.4), so the electromagnetic wave associated to ^vr3;rj gj is a factor aÿ rj gj larger than the ÿ r electromagnetic wave associated to ^v4;rj gj . A1.3.1. Re¯ection coef®cients The problem is to ®nd the re¯ection matrix coecient Rrg;r0 g0 ^v3 corresponding to a ÿ re¯ected wave Rrg;r0 g0 ^v3 ^vr3;rg , given an incident right eigenvector ^vr3;r0 g0 . It is convenient to treat the renormalization of the incident and the scattered waves separately. If the incident electromagnetic wave associated with the right eigenvector ^vr3;r0 g0 is a vr4;r0 g0 , then the amplitude factor a r0 g0 larger than the electromagnetic wave associated with ^ of the total scattered ®eld will be a factor ar0 g0 larger as well. In particular, the re¯ection coecient will be a factor a r0 g0 larger. Given a total re¯ected ®eld, say W, suppose this ®eld is projected upon the left eigenÿ vector ^vl4;rg , to give projection value R1;rg;r0 g0 ^v4 . This corresponds to a wave ÿ ÿ R1;rg;r0 g0 ^v4 ^vr4;rg . If we project upon the left eigenvector ^vl3;r0 g0 ; with projection value ÿ R1;rg;r0 g0 ^v3 ; this corresponds to a wave R1;rg;r0 g0 ^v3 ^vr3;rg : But as we assumed a ®xed re¯ected ®eld W; it should hold that 214 Green's functions for Maxwell's equations ÿ ÿ Rrg;r0 g0 ^v4 ^vr4;rg Rrg;r0 g0 ^v3 ^vr3;rg ÿ ÿ Hence, projecting upon ^vl3;r0 g0 instead of ^vl4;r0 g0 ; gives a factor 1=aÿ rg for the re¯ection coecient. Combining these two arguments, Rrg;r0 g0 ^v4 and Rrg;r0 g0 ^v3 ; are related by Rrg;r0 g0 ^v3 a r0 g 0 aÿ rg Rrg;r0 g0 ^v4 A1:5 Trg;r0 g0 ^v4 A1:6 A1.3.2. Transmission coef®cients Trg;r0 g0 ^v3 a r0 g 0 a rg Hence the most convenient choice for the Green's function basis is the choice (A1.3): all ÿ constants a rg 1; arg 1; 8r; 8g. Then the re¯ection and transmission coecients, determined on the transfer matrix basis, do not have to be renormalized when using these re¯ection coecients in the Green's function. Appendix 2. Current conservation A very useful general test for the correctness of our computer codes is current conservation. Pendry [12] has formulated the current in the z-direction on a lattice. For the transfer matrix four-component eigenvectors, a current conservation test has been described by Bell et al. [13]. After recapitulating these results, we derive the current conservation formula for the three-component electric ®eld eigenvectors used in the Green's function. A2.1. Current conservation on a four-component basis Suppose space is discretized on a cubic mesh with unit mesh vectors a; b; c; The current in the z-direction is given by [12]: 1 J r c; r Ex r cHy r ÿ Ey r cHx r a For complex ®elds, and using reduced magnetic ®elds, the current used in the computer codes is Hy0 r H 0 r ÿ fexp ikz aEy rg x J 0 r c; r R fexp ikz aEx rg A2:1 i i We de®ne a normalized current J^0 r c; r; ^vr4;rg being the current in the z-direction acÿ cording to Equation A2.1, for a three-component basis vector ^vr3;rg . The eigenvectors are ÿ 0 r normalized such that J^ r c; r; ^v4;rg 1. The current conservation test is then to check for each incident right eigenvector vr4;r0 g0 , the relation o Xn ÿ jR1;rg;r0 g0 ^v4 j2 J^0 r c; r; ^vr4;rg J^0 r c; r; ^vr4;r0 g0 ÿ ÿ Xn rg rg o jT2;rg;r0 g0 ^v4 j2 J^0 r c; r; ^vr4;rg 0 A2:2 and analogously for incident waves travelling in the ÿz-direction. Here `1', `2' refer to the lower and upper surface, respectively, of the slab of material. 215 F. Wijnands et al. A2.2. Current conservation on a three-component basis The expressions just obtained can be rewritten in terms of three-component electric ®eld eigenvectors, by expressing Hx ; Hy in Ex ; Ey ; Ez [12]. The current in the z-direction (Equation A2.1) then takes the form exp ikz a ÿ 1Ex r ÿ exp ikx a ÿ 1Ez r J 0 r c; r R fexp ikz aEx rg i exp iky a ÿ 1Ez r ÿ exp ikz a ÿ 1Ey r A2:3 ÿ exp ikz aEy r i Assuming that current conservation on the four-component basis is valid, we check whether the same is true on the three-component basis in the class (A1.4). We shall use the transformation rules for re¯ection and transmission coecients, given by Equations A1.5 and A1.6. Suppose there is current conservation for a given incident normalized four-component ÿ eigenvector, as expressed in Equation A2.2. De®ne a normalized current J^0 r c; r; ^vr3;rg being the current in the z-direction according to Equation A2.3, for a three-component ÿ basis vector ^vr3;rg . The normalized currents in the z-direction for the two basis sets are related as ÿ J^0 r c; r; ^vr4;rg 1 2 jaÿ rg j ÿ J^0 r c; r; ^vr3;rg The current expression (A2.2) can be re-expressed in terms of normalized currents ÿ J^0 r c; r; ^vr3;rg using the renormalization properties of the re¯ection and transmission coecients given in Appendix 1. For example, for incident waves travelling in the zdirection, the result is 1 2 ja r0 g 0 j J^0 r c; r; ^vr3;r0 g0 ( 2 X jaÿ rg j rg ÿ 2 ja r0 g 0 j ( 2 X ja rg j rg 2 ja r0 g 0 j 2 jR1;rg;r0 g0 ^v3 j jT2;rg;r0 g0 ^v3 j2 in other words J^ 0 r c; r; ^vr3;r0 g0 ÿ Xn rg Xn rg 1 2 jaÿ rg j 1 2 ja rg j ) ^0 J r ÿ c; r; ^vr3;rg ) J^0 r c; r; ^vr3;rg 0 jR1;rg;r0 g0 ^v3 j2 J^0 r c; r; ^vr3;rg ÿ o o jT1;rg;r0 g0 ^v3 j2 J^0 r c; r; ^vr3;rg 0 Therefore, if current in the z-direction is conserved on the four-component basis, it is also conserved on the three-component basis, as it should. 216