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Anion-exchange enabled tuning of caesium lead mixed-halide perovskites for high-energy radiation detection
Matula, Radovan ; Friák, Martin (referee) ; Dvořák, Petr (advisor)
Olovnato-halogenidové perovskity (OHP) se svými bezprecedentními funkčními vlastnostmi, které umocňuje jednoduché ladění zakázaného pásma, vzaly svět polovodičů útokem. Proces aniontové výměny, možný i po syntéze, umožňuje ladění zakázaného pásu OHP, což vede k olovnato-mix-halogenidovým perovskitům (OMHP), čímž se rozšiřuje jejich potenciál pro aplikace, zejména v oblasti laditelných detektorů. Širokému přijetí LMHP však brání jejich chemická nestabilita, která vede k segregaci halogenidů v materiálu, což zásadně omezuje spolehlivý provoz zařízení na bázi OMHP. Pochopení kinetiky segregace halogenidu přes delší časové intervaly zůstává výzvou, nabízi se tak použití teoretických simulací, jako jsou metody Monte Carlo (MC). Avšak MC simulace spoléhají na dobře definované povrchy potenciální energie (PPE), typicky odvozené z výpočetně náročných výpočtů teorie funkcionálu hustoty (DFT). V této práci navrhujeme nový přístup pro konstrukci dobře definovaných PPE z vysoce přesných DFT dat se zlomkem výpočetního zatížení. Využitím activation-relaxation technique noveau (ARTn) pro motivaci hledání přechodových bodů v PPE v kombinaci s nejmodernějšími přístupy strojového učení se snažíme výrazně snížit výpočetní náklady. Navíc s využitím klasické teorie hodnotíme detekční schopnosti vybraných OMHP.
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Tunable materials and structures for terahertz spectral range
Skoromets, Volodymyr ; Kužel, Petr (advisor) ; Hlídek, Pavel (referee) ; Pashkin, Alexei (referee)
This thesis is devoted to an experimental study of dielectric properties of incipient fer- roelectrics. The terahertz time-domain spectroscopy was used to investigate the complex permittivity spectra in both single crystals and various strained thin film structures versus temperature and applied electric bias. Namely, it allowed characterizing the ferroelectric soft-mode dynamics and its coupling to a central mode. An electric-field tunability of bulk single crystals of SrTiO3 was determined up to room temperature for the first time. The phenomenon is governed by soft-mode stiffening under applied field. As an application we proposed and characterized a tunable one-dimensional photonic structure with a thin SrTiO3 plate inserted as a defect layer. The importance of the soft-mode dynamics was stressed also in the study of bulk high density KTaO3 ceramics. A systematic study was performed of a KTaO3 thin film and especially of a set of strained multilayers consisting of SrTiO3/DyScO3 bilayers grown on DyScO3 substrate. Strain-induced ferroelectric transition was observed in these films governed by the soft mode coupled to a lower-frequency relaxation. A general model was developed describing the whole family of the studied samples. Effect of the composition stoichiometry of SrTiO3 films grown on DyScO3 was...
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Tunable materials and structures for terahertz spectral range
Skoromets, Volodymyr ; Kužel, Petr (advisor) ; Hlídek, Pavel (referee) ; Pashkin, Alexei (referee)
This thesis is devoted to an experimental study of dielectric properties of incipient fer- roelectrics. The terahertz time-domain spectroscopy was used to investigate the complex permittivity spectra in both single crystals and various strained thin film structures versus temperature and applied electric bias. Namely, it allowed characterizing the ferroelectric soft-mode dynamics and its coupling to a central mode. An electric-field tunability of bulk single crystals of SrTiO3 was determined up to room temperature for the first time. The phenomenon is governed by soft-mode stiffening under applied field. As an application we proposed and characterized a tunable one-dimensional photonic structure with a thin SrTiO3 plate inserted as a defect layer. The importance of the soft-mode dynamics was stressed also in the study of bulk high density KTaO3 ceramics. A systematic study was performed of a KTaO3 thin film and especially of a set of strained multilayers consisting of SrTiO3/DyScO3 bilayers grown on DyScO3 substrate. Strain-induced ferroelectric transition was observed in these films governed by the soft mode coupled to a lower-frequency relaxation. A general model was developed describing the whole family of the studied samples. Effect of the composition stoichiometry of SrTiO3 films grown on DyScO3 was...
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