Chapter1
TheCrystalStructure
ofSolids
Inthischapter,
(i)Youshouldbeabletosketchtheatomicarrangementofatomsinthecubic
lattices.
(ii)Youshouldbeabletocalculatetheareaandvolumedensityofatoms.
(iii)Youshouldbeabletoidentifytheprincipalcrystaldirectionsandlattice
planesinthecubiclattices.
Dr.AbdulManafHashim1
CrystalStructureofSolidsDr.AbdulManafHashim2
SemiconductorMaterials
SemiconductorConductor/MetalInsulator
ConductivityHighLow
ElementalCompound
GroupIVofperiodictable
・Silicon(Si)
・Germanium(Ge)
・Carbon(C)
CombinationsofGroupIIIand
GroupVElements
・Binary:GaAs,AlAs,AlP,GaN,GaP,InPetc.
・Ternary:AlGaAs,InGaAs,InGaPetc.
CombinationsofGroupIVand
GroupIVElements
・SiC,SiGeetc.
IIIIVV
BC
AlSiP
GaGeAs
InSb
Periodictable
SiliconisthemostcommonmaterialforICs.
CrystalStructureofSolidsDr.AbdulManafHashim3
TypesofSolids
AmorphousPoly-crystallineSingle-crystalline
Haveahighdegreeoforder
,orregulargeometricperiodicity,
throughouttheentirevolumeof
material.
Haveahighdegreeoforder
overmanyatomicormolecular
dimensions.
Haveorderonlywithina
fewatomicormolecular
dimensions.
Itselectricalpropertiesare
superiortothoseofanon-single
crystalmaterial.
Grain
Grainboundariestendto
degradetheelectrical
characteristics.
CrystalStructureofSolidsDr.AbdulManafHashim4
SpaceLattices
a1
b1
b2
a2
b1
a1
b4
a4
b3
a3
A
C
D
B
・Theconcerninthislecturewillbethesinglecrystal.Arepresentativeunit,orgroupofatoms,is
repeatedatregularintervalsineachofthethreedimensionstoformthesinglecrystal.
・Theperiodicarrangementofatomsinthecrystaliscalledthelattice.
PrimitiveandUnitCell
・Latticepoint:arepresentationofaparticularatomicarraybyadot.
・Thesimplestmeansofrepeatinganatomicarrayisbytranslation.
・Two-dimensionallatticecanbetranslatedadistancea1inonedirectionandadistanceb1ina
secondnoncolineardirection.
・Athirdnoncolineartranslationwillproducethethree-dimensionallattice.
・Thetranslationdirectionsneednotbeperpendicular.
Infinitetwo-dimensionallattice
Variouspossibletwo-dimensionallattice/unitcell
CrystalStructureofSolidsDr.AbdulManafHashim5
・Wecanseethatsingle-crystallatticeisaperiodicrepetitionofagroupofatoms.Therefore,wedo
notneedtoconsidertheentirelattice.Wejustneedtoconsiderafundamentalunit.
・Aunitcellisasmallvolumeofthecrystalthatcanbeusedtoreproducetheentirecrystal.
Aprimitiveunitcell
・Aprimitivecellisthesmallestunitcellthatcanberepeated
toformthelattice.
・Inmanycases,itismoreconvenienttouseaunitcellthatis
notaprimitivecell.
・Unitcellsmaybechosenthathaveorthogonalsides,whereas
thesidesofaprimitivecellmaybenonorthogonal.
・Thisfigureshowsageneralizedthree-dimensionalunitcell.
・Therelationshipbetweenthiscellandthelatticecanbecharacterizedbythreevectors,and.
whichneednotbeperpendicularandwhichmayormaynotbeequalinlength.
wherep,qandsareintegers.
a
v
c
v
b
v
csbqapr
vvvv
++=
BasicCrystalStructures
CrystalStructureofSolidsDr.AbdulManafHashim6
(a)Simplecubic:
anatomlocatedateach
corner.
(b)body-centeredcubic(bcc):
hasanadditionalatomatthe
centerofthecube.
(c)face-centeredcubic(fcc):
hasadditionalatomsoneach
faceplane
Byknowingthecrystalstructureofamaterialanditslatticedimensions,wecandetermine
severalcharacteristicsofthecrystal.Forexample,wecandeterminethevolumedensity
ofatoms.
CrystalStructureofSolidsDr.AbdulManafHashim6
Example1.1:Tofindthevolumedensityofatomsinacrystalthatisabody-centeredcubic
withalatticeconstanta=5Å=5x10-8cm.
Solution:
Acorneratomissharedbyeightunitcellswhichmeetateachcornersothateachcorneratom
effectivelycontributesone-eighthofitsvolumetoeachunitcell.Theeightcorneratomsthencontribute
anequivalentofoneatomtotheunitcell.Ifweaddthebody-centeredatomtothecorneratoms,each
unitcellcontainsanequivalentoftwoatoms.
Thevolumedensityofatomsisthenfoundas
Comment:
Thevolumedensityofatomsjustcalculatedrepresentstheorderofmagnitudeofdensityformost
materials.Theactualdensityisafunctionofthecrystaltypeandcrystalstructuresincethepacking
density–numberofatomsperunitcell-dependsoncrystalstructure.
()
322
38
1061
105
2
cm/atomsx.
x
atoms
Density==−
CrystalPlanesandMillerIndices
CrystalStructureofSolidsDr.AbdulManafHashim7
Surfaces,orplanesthroughthecrystal,canbedescribedbyconsideringtheinterceptsof
theplanealongthe,andaxesusedtodescribethelattice.a
v
c
v
b
v
Threebasicplanesthatarecommonlyconsideredinacubiccrystalareshownbelow.
Fig.(a):Theplaneisparalleltotheandaxessotheinterceptsaregivenasp=1,q=infinityands=infinity.
Takingthereciprocal,weobtaintheMillerindicesas(1,0,0),sotheplaneisreferredtoasthe(100)plane.
Note:AnyplaneparalleltotheoneshowninFig.(a)andseparatedbyanintegralnumberoflatticeconstants
isequivalentandisreferredtoasthe(100)plane.
OneadvantagetotakingthereciprocaloftheinterceptstoobtaintheMillerindicesisthattheuseofinfinity
isavoidedwhendescribingaplanethatisparalleltoanaxis.
(100)(110)(111)
CrystalStructureofSolidsDr.AbdulManafHashim8
CrystalDirection
Thedirectioncanbeexpressedasasetofthreeintegerswhicharethecomponentsofavectorinthat
direction.Forexample,thebodydiagonalinasimplecubiclatticeiscomposedofavectorcomponents
1,1,1.Thebodydiagonalisthendescribedasthe[111]direction.
Note:Thebracketsareusedtodesignatedirectionasdistinctfromtheparenthesesusedforthecrystal
planes.
Inthesimplecubiclattices,the[hkl]directionisperpendiculartothe(hkl)plane.
Thisperpendicularitymaynotbetrueinnoncubiclattices.
(100)
(110)(111)
CrystalStructureofSolidsDr.AbdulManafHashim5
DiamondStructure
SiliconandGermaniumaretwoexamplesofsemiconductormaterialsthathaveadiamondcrystal
structure.Aunitcellofthediamondstructureismorecomplicatedthanthesimplecubicstructures.
Aunitcellofdiamondstructure
Animportantcharacteristicofthediamondlatticeisthatanyatomwithinthediamondstructurewillhave
fournearestneighboringatoms.
Thediamondstructurereferstotheparticularlatticeinwhichallatomsareofthesamespeciessuchas
siliconorgermanium.
TheZincblendeStructure
CrystalStructureofSolidsDr.AbdulManafHashim5
Aunitcellofzincblendestructure.Ex:GaAslattice
Thezincblendestructurediffersfromthediamondstructureonlyinthattherearetwodifferenttypesofatoms
inthelattice.Compoundsemiconductors,suchgalliumarsenide(GaAs)havethezincblendestructure.
Note:Theatomsinboththediamondandzincblendestructuresarejoinedtogethertoformatetrahedron.
AtomicBonding
CrystalStructureofSolidsDr.AbdulManafHashim5
Thetypeofbond,orinteraction,betweenatomsdependsontheparticularatomoratomsinthecrystal.
Ifthereisnotastrongbondbetweenatoms,theywillnot“sticktogether”tocreateasolid.
(i)IonicBonding:Acoulombinteractionbetweenoppositelychargedions.
Ex:Sodiumchloride(NaCl)
MaterialsofGroupIandVII.
(ii)CovalentBonding:Sharingofelectronsbetweentwoatoms,sothatineffect
thevalenceenergyshellofeachatomsisfull.
MaterialsofGroupIV.
(iii)MetallicBonding
(iv)VanderWaalsBonding
CrystalStructureofSolidsDr.AbdulManafHashim1
ImperfectionsandImpuritiesinSolids
Inarealcrystal,thelatticeisnotperfect.Itcontainsimperfections(defects)
andimpurities.
Imperfections(defects);thatis,theperfectgeometricperiodicityisdisruptedin
somemanner.Imperfectionstendtoaltertheelectricalpropertiesofamaterial.
ImperfectionsinSolids
(i)LatticeVibrations:duetothermalenergywhichisafunctionoftemperature.
VacancyInterstitial
(ii)PointDefects
(a)Vacancy(b)Interstitial
LineDislocation
Substitutional
Impurity
Interstitial
Impurity
CrystalStructureofSolidsDr.AbdulManafHashim5
(iii)LineDefects
(a)Linedislocation
Effectsofdefects:
・Disruptionofthenormalgeometricperiodicityofthelattice
andtheidealatomicbondsinthecrystal.
・Thechangeofelectricalpropertiesofmaterials.
ImpuritiesinSolids
CrystalStructureofSolidsDr.AbdulManafHashim1
GROWTHofSEMICONDUCTORMATERIALS
Successinfabricatingverylargescaleintegrated(VLSI)circuits/
ultralargescaleintegrated(ULSI)circuitsisaresultofpuresingle-crystalsemiconductor
materials.
Presently,Silicon,hasconcentrationsofmostimpuritiesoflessthan1partin10billion.
Togethighpurityofsemiconductormaterials,weneed;
(i)Extremecareinthegrowthprocesses,
(ii)Highgrowthtechnologies,
(iii)Extremecareateachstepofthefabrication
processes.
(1)GrowthfromaMelt
Acommontechniqueforgrowingsingle-crystal
materialssuchassilicon,iscalled
“Czochralski”method.
Chuck
Seed
Crystal
Heater
Crucible
Melt
Tube
Container
CrystalStructureofSolidsDr.AbdulManafHashim1
(2)EpitaxialGrowth
Epitaxialgrowthisaprocesswherebyathin,single-crystallayerofmaterialisgrownonthe
surfaceofasingle-crystalsubstrate.
Substrate(GaAs)Substrate(Si)
Epitaxiallayer(Si)Epitaxiallayer(AlGaAs)
HomoepitaxialGrowthHeteroepitaxialGrowth
EpitaxialGrowthTechnique
(i)ChemicalVaporDeposition(CVD)
(ii)LiquidPhaseEpitaxy(LPE)
(iii)MolecularBeamEpitaxy(MBE)
(iv)MetalOrganicVaporPhaseEpitaxy(MOVPE)/MetalOrganicChemicalVapor
Epitaxy(MOCVD)
CrystalStructureofSolidsDr.AbdulManafHashim1
Summary
・Afewofthemostcommonsemiconductormaterialswerelisted.
Siliconisthemostcommonsemiconductormaterial.
・Thepropertiesofsemiconductorsandothermaterialsaredeterminedtoa
largeextentbythesingle-crystallatticestructure.Theunitcellisasmallvolume
ofthecrystalthatisusedtoreproducetheentirecrystal.Threebasicunitcells
arethesimplecubic,body-centeredcubic(bcc)andface-centeredcubic(fcc).
・Siliconhasthediamondcrystalstructure.Atomsareformedinatetrahedral
configurationwithfournearestneighboratoms.Thebinarysemiconductorshave
azincblendelattice,thatisbasicallythesameasthediamondlattice.
・Millerindicesareusedtodescribeplanesinacrystallattice.Theseplanesmay
beusedtodescribethesurfaceofasemiconductormaterial.TheMillerindices
arealsousedtodescribedirectionsinacrystal.
・Imperfectionsdoexistinsemiconductormaterials.Afewoftheseimperfections
arevacancies,substitutionalimpurities,andinterstitialimpurities.Smallamounts
ofcontrolledsubstitutionalimpuritiescanfavorablyaltersemiconductorproperties.
CrystalStructureofSolidsDr.AbdulManafHashim1
Summary(cont.)
・Abriefdescriptionofsemiconductorgrowthmethodswasgiven.Bulkgrowth
producesthestartingsemiconductormaterialorsubstrate.Epitaxialgrowth
canbeusedtocontrolthesurfacepropertiesofasemiconductor.
・Mostsemiconductordevicesarefabricatedintheepitaxiallayer.
GlossaryofImportantTerms
Binarysemiconductor
Ternarysemiconductor
CovalentBondingDiamondLattice
Doping
Elementalsemiconductor
Compoundsemiconductor
Epitaxiallayer
IonImplantation
Lattice
MillerIndices
PrimitiveCell
UnitCell
Substrate
ZincblendeLattice
WurtziteLattice
IonBonding

Chapter1 the crystal structure in solids