Index

aab-initio total energy– formation of 493–494– overview of 483absorptance 6, 9, 10, 11, 28, 48, 53,

55, 56, 58absorption coefficient 10, 11, 12, 20, 65,

67, 180absorptivity 153, 170activation energy 44–46, 89, 94Adiabatic local density approximation

484admittance 81admittance spectroscopy 81, 95–97AFORS-HET 521, 522AM1.5 spectrum 6, 42, 516, 533ambipolar transport 181amorphous fraction 381amphoteric 251amphoteric state 504amplitude modulation 279AMPS-1D 522angle distribution functions 520angle-dispersive X-ray diffraction 357angularly resolved scattering 114, 116,

120, 121annular dark-field detector 327anomalous dispersion 219anti-Stokes band 368anti-Stokes process 369APSYS 531Arrhenius dependence 460Arrhenius plot 94ASA 13, 523ATLAS 531atomic force microscope 110, 275atomic force microscopy 318– conductive 276, 279

– non-contact 278attempt-to-escape frequency 221Auger electron spectroscopy 411, 427Auger electrons 301Auger process 427, 428Auger recombination 16autocompensation 254

bback surface field 292backscattered electrons 300band alignment 399, 400,

403, 404band bending 13, 14, 88, 285,

288, 289band diagram 291band-gap energies 496band-gap fluctuations 9band-tail width 220band-band transitions 163bandtail. see tailBethe–Salpeter equation 484bilayer process 21bimolecular recombination 258biplate 130black body spectrum 41black body 6, 63Boeing process 21Bohr magnetron 232, 234Bragg diffraction 306, 327,

332, 336Bragg�s law 351bremsstrahlung 333, 334Bruggeman effective medium

approximation 136built-in electric field 14, 15, 19, 24, 26, 28,

212, 286built-in voltage 82, 213, 227

j541

Advanced Characterization Techniques for Thin Film Solar Cells,Edited by Daniel Abou-Ras, Thomas Kirchartz and Uwe Rau.� 2011 Wiley-VCH Verlag GmbH & Co. KGaA. Published 2011 by Wiley-VCH Verlag GmbH & Co. KGaA

ccapacitance 81, 210– dc 82– differential 82capacitance-voltage measurement 281capacitance-voltage profiling 81capture cross section 17, 82, 94, 509, 510,

512, 533capture rate 86carrier collection– voltage dependent 15carrier lifetime 181cathodoluminescence image 312cathodoluminescence 305, 312, 536CdCl2 activation 24Chandezon method 114charge extraction 10, 12–14, 18, 19chemical bath deposition 21close space sublimation 315co-evaporation 21coherence length 130coincidence-site lattice 305collection function 308–311collection probability 5, 49COMSOL 531concentric hemispherical analyser 429conduction band 492conductive AFM see atomic force

microscopy, -conductiveconfocal microscope 155continuity equations 501, 521, 532conventional TEM see transmission electron

microscopy, -conventionalconvergent-beam electron diffraction 329Curie law 249, 252current/voltage curve 35, 83cylindrical mirror analyser 429

ddangling bond 4, 26, 193, 231, 503dark conductivity 184dark current density 36Debye length 86, 290deep level optical spectroscopy

98, 99deep level transient spectroscopy

81, 95, 462deep state 81defect 16, 27, 37, 39, 52, 180, 194, 207,

231, 285, 288, 365, 377, 504–507, 512,514, 521–524, 533

– metastable 27defect-pool model 504–507demarcation energy 89, 206, 222

density of states 81, 89, 178, 198, 221, 222,225, 257, 502, 503, 507, 508

– hydrogen 462, 463, 471– phonon 381density-functional perturbation theory 486density functional theory 244, 251, 269, 480– band-gap problem of 483– basis sets 480, 481– Hohenberg–Kohn theorem 480– Jacobs ladder of 482– Kohn–Sham method 480– local-density approximation/generalized

gradient approximation functionals481–483

– material properties 485–486– time-dependent 484– – adiabatic local density approximation

484depletion approximation 85desorption 450, 454, 455, 459, 462,

463, 468detailed balance 6, 9, 10, 87, 509deuterium 454diamagnetic 257dielectric constant 180, 533dielectric function 128, 133dielectric relaxation time 187, 209, 217diffraction 112diffraction pattern 325diffusion coefficient 181, 185– hydrogen 460diffusion constant 309diffusion length 14, 26, 65, 69–71, 109,

177, 181–186, 191, 195, 197, 291,308–312, 321

– hydrogen 456diode equation 7, 531diode-quality factor 531. see also ideality

factordirect semiconductor 10disorder activated modes 377disorder 81dispersion– optical 126dispersion parameter 220dispersion 205– anomalous 206dispersive transport 206displacability 217, 225displacement current 205donor-acceptor pair recombination

160drive-level capacitance profiling

81, 97

542j Index

eeffusion 449–472Einstein relationship 435electrically detected magnetic resonance

232, 264electrodeposition 374, 375electroluminescence 61, 264, 522electron backscatter diffraction 288, 302, 322– pattern 302–304, 322, 323electron beam induced current 307, 530electron density 480electron energy-loss spectroscopy 323, 329electron gas 480electron holography 335electron microscopy 299–345electron paramagnetic resonance 231electron spin resonance 231, 507electron-beam induced current 307, 530electronegativity 421electronic structure methods 483electron-nuclear double resonance 238electron-spin echo envelope

modulations 238ellipsometry 125energy-dispersive X-ray diffraction 291, 334,

358, 418energy-dispersive X-ray elemental distribution

maps 323energy-filtered transmission electronmicroscopy see transmission electronmicroscopy, -energy-filtered

energy-loss near-edge structure 332enthalpy 459entropy 459equivalent circuit 41, 531equivalent circuit modeling 531evanescent light 109, 113exact numerical inversion 133exchange-correlation energy 481exciton 5, 313excitonic 144, 158extended energy-loss fine-structure 333

ffast Fourier transformation 109, 118Fermi energy 81, 82, 95, 97, 491Fermi level 39, 45, 178, 194, 207, 231, 252,

257, 284, 285, 309, 469Fermi�s golden rule 151, 392, 393Fermi–Dirac distribution 509finite-difference time-domain 116flatband 13–15fluorescence 372focused ion beam 305, 341

four point probe technique 41Fourier analysis 130Fourier coefficients 130Fourier transform 85Fourier-ratio deconvolution 333free energy 459free bound transition 159frequency modulation 279Fresnel fringes 337Fresnel�s coefficients 519full potential linearized augmented plane

wave method 481

gGaussian/numerical atomic orbital basis

function 481generalized gradient approximation 481generalized Kirchhoff�s law 153generalized Planck�s law 153generation function 48gettering 291Gibbs free enthalpy 100glow discharge mass spectroscopy 411,

413, 417, 418glow-discharge optical emission 411, 413glow-discharge optical emission

spectroscopy 416, 418goniometer 188grain boundary 288, 305, 311, 530grating 112, 179, 187grazing incidence X-ray diffraction 354Green–Kubo formalism 485gyromagnetic ratio 232

hHall effect 288, 289Hall measurement 203Hamaker constant 277Hamiltonian 240, 241Hartree–Fock calculation 251Hartree–Fock exchange 482Hartree–Fock method 482haze 114Hecht plot 213high angle annular dark field 327high injection condition 152Hooke�s law 277hopping 205, 264, 265, 268Hough space 304Hubbard model 482hydrogen dilution 137hydrogen passivation 4hydrogen 449, 450, 453, 454, 456–472hyperfine interaction 233, 234, 240

Index j543

iideality factor 37, 38, 39, 44inelastic scattering 388interface recombination 44interfacial barrier 47interference 11, 48, 50, 54, 55, 115, 118,

178, 348, 349, 351, 519, 520intrinsic carrier concentration 502inverse photoelectron spectroscopy 390, 391ion bombardment 433, 436ion-beam sputtering 427, 433

kKelvin probe force microscope 276, 282Kelvin probe technique 275Kikuchi pattern 302Kirchhoff�s law 6– Würfel�s generalization 6Kohn–Sham framework 486Kramers–Heisenberg formalism 392, 393Kramers–Kronig rule 133Kramers–Kronig transformation 96

lLambert–Beer law 355, 521Lambertian distribution 10Landé factor 232Laplace transform 226Larmor frequency 245laser 70, 209, 370– dye 209– gas 370– solid state 371least squares regression 134lifetime 14, 37, 40, 57, 152, 186, 533, 538light beam induced current 530light scattering 109light trapping 4, 10, 11, 12, 18, 19, 109,

116, 519light-induced degradation 194, 248, 257light-induced electron spin resonance 237light-soaking 195local density approximation– ZnO, point defects, formation

energies 494localised vibrational modes 377long-range order 207Lorentzian broadening 143LO-TO splitting 370, 374low pass filter 83

mmagnetic moment 232, 240, 249many-body perturbation theory 484

Maxwell–Boltzmann approximation 502mean-inner potential 337Meyer–Neldel rule 97, 99Miller indices 350mobility edge 219mobility gap 25, 502–504, 507mobility 9, 14, 15, 17, 20, 25, 26, 27, 36, 81,

180, 185, 186, 205, 212, 231, 252, 254, 255,258, 265, 502–504, 506, 507

mobility-lifetime product 178molecular dynamics simulations 485monoplate 130Monte Carlo simulation 309Mott insulators 482multidimensional modeling 529multijunction solar cell 51, 68multiple-trapping model 215, 219

nnear-field scanning optical microscopy

318neutron scattering 347–349, 351–354Newton–Raphson algorithm 133non-contact AFM see atomic force

microscopy, -non-contactnuclear magnetic resonance 235numerical modeling 530

oOhm�s law 180open-circuit voltage 7, 8, 15, 16, 17,

20, 43, 46, 513, 514optical beam induced current 530optical near-field 109optical transitions 151, 158ordered vacancy compound 375oxygen vacancy 489

pparamagnetic 231, 232, 237, 239, 241–246,

248, 251, 252, 254, 255, 257, 260, 261, 263,264, 268

parasitic absorption 48, 57passage effect 236, 238Pauli principle 252, 265PC1D 523percolation theory 507phase locked loop 279phasor diagram 82photoluminescence calibration 156phonon 367photocapacitance measurement 81, 98photoconductivity 178photocurrent 7, 12, 36, 37, 40, 41, 52, 55, 58

544j Index

photocurrent decay 205photoelectron spectroscopy 291, 388, 390photoluminescence 151, 264, 313– micro-PL 171photoluminescence setup 154photomultiplier tube 129, 372, 415photon flux 153photothermal deflection spectroscopy 55physical vapour deposition 374plasma enhanced chemical vapor

deposition 135plasmon 428point defects– ab-initio characterization of 486–488– case study– – in ZnO 494–496– formation energies of 493, 494– formation process 490– Gibbs free energy 488– Kröger–Vink notation of 489– thermodynamics of 488–493– vs. Fermi energy 494Poisson equation 92, 177, 336,

501, 532polarization 180, 188, 366, 367, 374– optical 125Poole–Frenkel effect 94post-transit 206, 223potential fluctuations 162pre-transit 206profilometer 425

qquadrupole 421, 422, 450quantum efficiency of solar cell 47–56, 58,

63–66, 292, 536– of a light emitting diode 66, 68quantum Monte Carlo method

484quasi-Fermi level 38, 94, 111, 502quasi-Fermi level splitting 152, 153

rradiative lifetime 152Raman cross section 371Raman scattering 367Raman spectroscopy 365Rayleigh scattering 367RC time constant 518reciprocity 62, 63, 65, 66recombination 36–39, 41, 44–48, 52,

55, 57, 58, 61–66, 68–71, 194, 291, 313,501, 502, 507–513, 521, 522, 533

recombination center 81

recombination current density 36reflection 10, 12, 18, 19, 48, 54refractive index 10, 112, 126, 179,

355, 520relative sensitivity factor 417remote electron beam induced current

307resonant inelastic X-ray scattering

390reverse bias deep level transient

spectroscopy 95Rietveld analysis 351, 352, 353Ritter–Zeldov–Weiser analysis 181Rutherford scattering 327

sSAED. see selected-area electron diffractionsaturation current density 36, 39, 46Savitzky–Golay filter 430scanning capacitance microscopy 280scanning electron microscopy 299–323scanning near-field optical microscopy 109scanning spreading resistance

microscopy 280scanning tunneling microscopy 275, 284,

318, 530SCAPS 90, 513, 523, 524scattering cross section 347, 349Scherrer equation 360Schrödinger equation 479– ab-initio methods 479– Hamiltonian of 479SC-Simul 524secondary electrons 300, 388secondary ion mass spectrometry

411, 420, 454secondary neutral mass spectrometry 422selected-area electron diffraction

327, 328selenisation 21Sentaurus 531series resistance 37, 39, 40, 42–44, 70,

71, 75, 77, 83Sah and Shockley statistics 523shallow state 81sheet resistance 73–77Shockley–Queisser theory 5, 7, 36, 47Shockley–Read–Hall recombination

14, 37, 52, 508short-circuit current density 6, 7, 12, 14, 15,

17, 36, 40, 42–44, 46, 47shunt 40, 44, 72, 75–77, 531Snell�s law 128, 179solar simulator 42

Index j545

space charge region 13, 37–39,41, 45

spatial inhomogeneities 170spectral absorptivity 153spectral response 47, 52spectroscopic ellipsometry 48, 125spectrum imaging 314SPICE 40, 76, 531spin 231–234, 236–241, 243–246,

248–252, 254, 255, 264–266,268, 269

spin-lattice relaxation time 234spin-orbit interaction 241spontaneous emission rate 152sputter deposition 21sputtered neutral mass spectroscopy

411S-shape 15Staebler–Wronski effect 27steady-state photocarrier grating 177stoichiometric defect reaction 491Stokes process 369strain 365stray light 372substrate 18, 19, 20, 21, 22, 26superposition principle 52superposition 7superstrate 4, 18, 19, 26surface photovoltage 522surface recombination 14–18, 184,

193, 502surface recombination velocity 65, 69, 309,

310, 502susceptibility tensor 374susceptibility 366synchrotron radiation 387, 390

ttail 9, 16, 71, 81, 184, 195, 252, 503,

504, 507tandem cell 51, 52temperature-programmed desorption

450texture– geometric 109thermal desorption spectroscopy 450thermal velocity 17, 87, 502thermalization 5, 27thermodynamic stability 487three-stage process 21time-dependent density functional theory see

density-functional theory, -time-dependenttime-of-flight 203time-of-flight mass spectrometer 416

time-resolved photoluminescence536

topography 111, 112, 120, 278,283, 311

total internal reflection 10, 109, 113transient photocapacitance spectroscopy

99transit time 205, 206, 214, 216transmission electron microscopy

323–338– bright-field 324– conventional 323, 340– dark-field 324– energy-filtered 329– high resolution 326– scanning 323, 324transparent conductive oxides 23trap 38, 81, 87, 93, 205, 219, 220, 223,

231, 280, 285, 288, 313, 508–510,512, 521

trapped charge 180, 184trap state 81tripod polishing 340tritium 454tunneling luminescence microscopy

319tunnelling enhanced recombination 38two-diode model 39type inversion 25

uUrbach energy 504UV photoelectron spectroscopy 390

vvan der Waals force 276virtual interface analysis 133, 134, 136void 461, 466, 469–471

wwavelength-dispersive X-ray spectrometry

see X-ray spectrometry, -wavelength-dispersive

work function 282, 286, 288, 291,435, 436

xX-ray absorption spectroscopy

390, 391X-ray diffraction 286, 328, 350, 354,

357, 358, 373, 376, 378X-ray emission spectroscopy 389, 390X-ray excited Auger electron

spectroscopy 390

546j Index

X-ray fluorescence 334, 358, 391,436, 441

X-ray photoelectron spectroscopy390, 411, 435

X-ray scattering 347, 348X-ray spectrometry– energy-dispersive 306, 411, 440

– wavelength-dispersive 306, 353X-rays 347–359, 387

zZ contrast imaging 302, 327Zeeman levels 232, 244

Index j547