15674

14010

كارشناسي ارشد

حالت جامد (ماده چگال)

اصفهان : دانشگاه صنعتي اصفهان

1399

نه، 88 ص.: مصور، جدول، نمودار

اسماعيل عبدالحسيني سارسري

جواد هاشمي فر

مجتبي اعلايي مهدي عبدي

1399/05/11

كتابنامه

فيزيك

فيزيك

1399/05/11

2623113

Color Centers in Two Dimensional Hexagonal Nanosheet of Titanium Dioxide Siavash Karbasizadeh Department of Physics Isfahan University of TechnologyDegree M Sc Supervisor Dr I Abdolhosseini SarsariAdvisor Dr S J HashemifarAbstractIn this time and age manufacture and analysis of two dimentional materials has becomethe center of attention due to their superb characteristics in different areas In thisresearch the features of two dimentional hexagonal nanosheet of TiO2 is morethoroughly looked into and the presence of color centers in this very special 2D materialis assessed vigourously These color centers can have great potential in different fieldssuch as photonics which is of utmost importance Of these capabilities emission of singlephotons can be pointed out which has excellent capacity in quantum sensors quantumnanophotonics and quantum processing The reason for choosing this substance is itswide bandgap which can categorize it as one of the solid state platforms for the emissionof single photons For the calculations at hand one of the hybrid functionals is employed for these functionals are quite precise in giving the bandgap in close accordance to theexperimental value The simulation packages used in this project are FHI aims andVASP These simulation packages have in them the built in use of hybrid functionals andare perfect for the chosen task The next step taken to ensure the conclusive assessment ofthe procured defects in emission of single photons is the calculation of zero phonon lineenergy the difference in configuration coordinates and the formation energy for eachindividual color center In addition hyperfine tensor parameters are also given to give thereader a better chance of comparing these centers with experiment In the end lookingback at the results the color centers that are up to the task are introduced These colorcenters are the titanium vacancy and vanadium niobium and titanium interstitial defects The best possible transition in these defects is a transition in niobium interstitial neutraldefect with a ZPL energy of 1 85 electron volts and a difference in configurationcoordinates of 0 57 This transition has been looked into more vigourously Keywords color centers single photon hybrid functionals VASP and FHI aimssimulation packages zerp phono line difference in configuration coordinates formationenergy hyperfine tensor

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