TheoreticalinvestigationofCu-containingmaterialswithdifferent valencestructuretypes:BaCu2S2, Li2CuSb, andLiCuS

Faculty Science Year: 2023
Type of Publication: ZU Hosted Pages:
Authors:
Elsaid Mahmoud Ahmed ebrahem
Journal: Journal ofPhysicsandChemistryofSolids Elsevier Volume:
Keywords : TheoreticalinvestigationofCu-containingmaterialswithdifferent valencestructuretypes:BaCu2S2, Li2CuSb, andLiCuS    
Abstract:
Optoelectronicsresearchrequirescheapmaterialswithabroadspectrumofoptical,electronic,and structural properties.TheclassofHeuslercompoundsandternarystructuresprovidemanypossibilities for finding alternativegroupIVandIII–V semiconductorcompounds.Thisstudyintroduceswiderband gap materialsforuseinsolarcellsasanalternativetocadmiumsulfide bufferlayers.Thebufferlayeris inserted betweentheabsorberlayer(p-type)andthetransparentwindowlayer(n-type)toenhancethe maximum amountoflighttransmission.Reasonablecalculationsarereportedforthebandgapsof copper-containingmaterials:LiCuS,BaCu2S2, andLi2CuSb. Previousopticalanalysismeasurementsof these films determinedthatthebandgapswere1.8and1.9eVforBaCu2S2 and LiCuS,respectively.In general,semiconductorcompoundshavebeenstudiedtheoretically,buttherearemajordifferences between theexperimentalandtheoreticallycalculatedbandgaps.Asuitablecalculationmethodfor semiconductor compoundsisdescribedinthisstudy.Forthe first time,calculationsbasedontheEngel and Voskomethodareintroducedforthesesemiconductorcompounds.Thismethodyieldsbandgaps that arecomparabletotheexperimentalvalues,whichfacilitatethedevelopmentofmicroscopic analysesofthesecompounds.Directbandgapsof1.15and1.7eVwereobtainedforBaCu2S2 and LiCuS, respectively,whereastheindirectbandgapwas0.7eVforLi2CuSb
    
     
 
       

Author Related Publications

  • Elsaid Mahmoud Ahmed ebrahem, "Electronic structure calculations for ZnFe2 O4", PHYSICAL REVIEW B, 2011 More
  • Elsaid Mahmoud Ahmed ebrahem, "Theoretical Study on the Structure of Ternary Compounds AMn2X2 (A: Ba, Ca, and Y; X: Sn, Ge, and Si)", elsevier, 2013 More
  • Elsaid Mahmoud Ahmed ebrahem, "Theoretical investigation of MnFe2O4", elsevier, 2013 More
  • Elsaid Mahmoud Ahmed ebrahem, "First-Principles Investigation of NdFe2Ge2", Manuscript submitted June, 2016 More
  • Elsaid Mahmoud Ahmed ebrahem, "The stacking of antifluorite Fe2P2 layer on the electronic structure of the ternary compounds CaFe2P2, BaFe2P2 and EuFe2P2", Computational Materials Science, 2016 More

Department Related Publications

  • Abdullah Fathi Aly Saad, "Ageing effects on polymeric track detectors: studies of etched tracks at nanosize scale using atomic force microscope", RADIATION PHYSICS, 2012 More
  • Ahmed Elfalaky Elsaid Abdelrehim, "Electrical and Dielectric Properties of Charge Transfer Complexes: Interactions between Norfloxacin and Ciprofloxacin with Picric Acid and 3,5-Dinitrobenzoic Acid1", Russa, 2013 More
  • Ahmed Elfalaky Elsaid Abdelrehim, "Spectroscopic and physical measurements on charge-transfer complexes: Interactions between norfloxacin and ciprofloxacin drugs with picric acid and 3,5-dinitrobenzoic acid acceptors", Englabd, 2011 More
  • Ahmed Elfalaky Elsaid Abdelrehim, "Bone-like Material, Synthesis, Optimization and Characterization", America, 2014 More
  • Ahmed Elfalaky Elsaid Abdelrehim, "Structural and electrical properties of HgTe thin films", england, 2000 More
Tweet