原创力文档Theoretical Calculations of Optical Spectra and Their Pressure-Induced Shifts of MgAl2O4：Cr^3＋.pdfVIP
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维普资讯
Commun．Theor．Phys．(Bering，China)49(2008)PP．1339—1344
⑥ ChinesePhysicalSociety Vo1．49，No．5，Maly15，2008
TheoreticalCalculationsofOpticalSpectraand TheirPressure-Induced Shiftsof
M gA12O4：Cr。+
W U FeiandZHANG Ji—Ping
CollegeofPhysicalScienceandTechnology,Sichuan University,Chengdu610065，China
fReceivedApril24，20071
A bstract Theenergy levelsofspectrum．wavefunctionsandcrystal-fieldparametersofMgA1204：Cr3+atnormal
pressurehavebeencalculatedbythemeansofdiagonalizingthecomplete energymatrixfDCEM)．w 曲theseresults，
thegfactorofthegroundstateatnormalpressureandthepressure-inducedshift(Ps)ofthespectrallevelsare
alsoca1culated uniformly,and thecalculated resultsareallin goodagreementwith theexperimentalones．And the
contributionsofvariouscrystal一靠eldparameterstotheenerKylevelsatnormalpressureandthevariationalratesofthe
R1lineshiftingwi th thepressurearecalculated，rfom whichthephysicalorigin oftheredshift oftheR1lineshifting
wi th increasingpressurehavebeen clera lyshown．
PACSnumbers：71．70．Ch，71．70．Ej，75．10．Dg，78．20．Hp
Key words：crystalfields，energyspectrum ，gfactor，high-pressureeffect
1 Introduction Thewholeenergy spectrum and wavefunctionshave
veryoutstandingpositionsofrstudyingtheluminescence
TheCr十一dopedmagnesium spinelM gA1204hasbeen
propertiesand PS ofenergy levels． Thus，atfirst，the
widelystudiedbymanyauthorsforitspotentialtomake
wholeenergy spectrum and wavefuntionswillbecalcu—
thetunablelaseroritsspecialspectralproperties，which
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