Thelattice,thebandgapandtheopticalpropertiesofn-typeZnOunderuniaxialstressareinvestigatedbyfirstprinciplescalculations.Theresultsshowthatthelatticeconstantschangelinearlywithstress.Bandgapsarebroadenedlinearlyastheuniaxialcompressivestressincreases.Thechangeofbandgapforn-typeZnOcomesmainlyfromthecontributionofstressinthec-axisdirection,andthereasonforbandgapofn-typeZnOchangingwithstressisalsoexplained.Thecalculatedresultsofopticalpropertiesrevealthattheimaginarypartofthedielectricfunctiondecreaseswiththeincreaseofuniaxialcompressivestressatlowenergy.However,whentheenergyishigherthan4.0eV,theimaginarypartofthedielectricfunctionincreaseswiththeincreaseofstressandablueshiftappears.Therearetwopeaksintheabsorptionspectruminanenergyrangeof4.0-13.0eV.Thestresscoefficientofthebandgapofn-typeZnOislargerthanthatofpureZnO,whichsuppliesthetheoreticalreferencevalueforthemodulationofthebandgapofdopedZnO.
