Professional Documents
Culture Documents
Band Structure & Lindhard Susceptibility
Band Structure & Lindhard Susceptibility
Additionallywecansetouroriginsit rj 0 andrm a m
Bandi
EEEet firrmHairdr
IrlHtlrldr EmethrmfAlr a HdIrldrt m 1 isnearestneighbours
T ThatAsortof kinetic
energy
Wedefinethechemicalpotentialst.itshiftstheE ofthefillingto 0
Elkx kytM2tlcoskxa.coskya 2Dcase
VanHovesingularities
DOSis givenby
DIE dz Huff
Fromthedispersion weknow
d E GEdk
WhileNdescribes a n spherein kspaceinthesimplestcaseHence It istheIn it surface
DIE FETf dkgg.ly
ForsaddleorextremapointsDIEdiverges'sVanHovesingularityTheyplayarolewhenconsidering
transitionsastheydependonthe
number ofinitialandfinalstates
JahnTellereffect
Incompoundstheoverlapoforbitalsisenergeticallyunfavourable
Ig
Ifwehavea centralatomsurroundedbyacrystalfield
orbitalsofcentralatomthatdodgescrystalfieldorbitalsarefavoured Eg
Octahedral fieldsplitting dorbitalsofcentralatominteractwithporbitalsofcrystalfield
En
Iii
JahnTellerdistortionDistortionofcrystalfield costselasticenergy tolowerelectronicenergydueto
lessorbitaloverlap
Takeoctahedralcrystalfieldwheretopandbottomatomsstretch
E d Y Etat
Ed K8 Kg d
i
tag s8
Etoiks es
ThomasFermiscreening
ext
gag toget
n
id
gotgetg induceddensityduetoimpurity
Weareinterestedintheresponsetothisimpurity
Elg Io
Xiggin
WeFT Poisson's
eqwheretheylinearize
is is
p I
g gofind
Elg É d it
ind
Eigg
a
go enlyt e fthtfilmT
WetheninsertourpotentialintotheSEundertheassumptionthatitvariesveryslowlywithF
NowtheFTofasimpleCoulombpotentialisgiven
by
q Tr g
Text
Iotaggig
g Ékg
Wesee nowduetothisscreeningourpotentialisactuallyaYukawapotential
Iota r fetor
Andtois sortoftheeffectiverangeofthisinteraction
hardsusceptibility
Lind
Abetterapprox wouldbeusingbertubationtheory
got effultury thisisexact
Andtheperturbedwavefunctionisgivenby
tuIr ly eaten kleft Ikill 2ndorder
plane
wave
Theprobdensityisthen
dirs egfulA B
gin
Wecan FTthis fdryields81ktg k landcancels a sumWethengetastheLind
hardsusceptibility
Xq g a Yip if weneeddispersionforthis
Inthelimitguk werecoverThomasFermiscreening
LStellsustheeffectofelectricfieldscreeningaswell
Presentation
icedatatomsbutcanhop
Tightbindingmodelwhere élocal
Eu Eatatcostka
Hoppingstemsfromorbitaloverlap JlolrealtiloIrldrandissortofa kineticenergy
Otherextremeisfree é gas nowwithweak é é interactionas perturbation
Fermiliquidthatbehaveslike é butwith
me sm andchangescurvature butnotE 81
SomespecialpointsinthebandstructuresareVanHovesingularitiesatextremalpoints
IwouldalsoaddJahntellertothiscategory
Crystal fieldsplitting
JahnTellerdistortion
Backtofreeé
gaslet'saddimpurity
Wedefined Elg and Xl andsawtheirconnection
g
ForslowlyvaryingpotentialweusedThomasFermiapprox
Elg a hog
g
s
eEnfult t
Usingperturbationtheory wegotLindhardsusceptibility
Ngla Seti ten dh
Needdispersiontocalculate
Reducesto TFappox for
gah