Thin films of wide band-gap semiconductors are deposited by the pulsed laser deposition method. Optimal deposition parameters for the individual compounds are reported. A family of p-type BaCuQF (Q = S, Se, Te) ceramics with a layered crystalline structure is investigated for active and passive device applications.
Epitaxial films of...
Bulk properties of CuSc₁₋ₓMgₓO₂, CuSc₁₋ₓMgₓO₂₊y, BaCu₂S₂, Bai₁₋ₓKCu₂S₂, BaCu₂Se₂
and Bai₁₋ₓKₓCu₂Se₂ are investigated supporting the search for highly conductive p-type
thin films. Mg is an efficient dopant in CuScO₂ with conductivity up to l.5.10⁻² S/cm.
Oxidation of CuScO₂:Mg leads to further increase in conductivity up to 0.5 S/cm. The
amount of...
Double excitonic absorption peaks are observed in textured BaCuSF and BaCuSeF thin films. The excitonic doublet separation increases with increasing fraction of heavy chalcogen in the thin-film solid solutions, in good agreement with the spin-orbit splitting of the valence bands calculated by density-functional theory. In BaCuSF and BaCuSeF, the excitons...
Transport and structural properties of Mg-doped and O-intercalated sintered powders and
polycrystalline films of CuSc₁₋ₓMgₓO[subscript 2+y] are reported. Substitution of Mg for Sc systematically
increases the p-type conductivity in CuSc₁₋ₓMgₓO₂ sintered powders, producing a maximum
conductivity of 0.015 S/cm at x≈0.06. A similar level of conductivity is observed in transparent...
In situ photoemission spectroscopy experiments are used to characterize the interface between ZnTe and the wide band gap p-type semiconductor BaCuSeF. The contact is characterized by a null valence-band offset, a large conduction-band offset, and a chemically graded interface. By applying the transitivity rule for band offset and on the...
Zinc tin oxide (ZTO) films deposited by pulsed laser deposition (PLD) are
investigated as a channel layers for transparent thin-film transistors (TTFTs).
Films are deposited on glass for characterization, and transistor channel layers are
deposited onto aluminum oxide-titanium oxide/tin doped indium oxide/glass
substrates (ATO/ITO/glass) to produce TTFTs.
UV-visible spectroscopy on...
BaCuChF (Ch = S, Se, Te) materials are chalcogen-based transparent conductors with wide optical band gaps (2.9 – 3.5 eV) and a high concentration of free holes (10¹⁸ – 10²⁰ cm⁻³) caused by the presence of copper vacancies. Chalcogen vacancies compensate copper vacancies in these materials, setting the Fermi level...
Native point defects, defect complexes, and oxygen impurities in BaCuChF were studied using density
functional theory calculations, self-consistent thermodynamic simulations, and various experimental techniques.
Unintentional p-type conductivity in BaCuChF is explained by the presence of copper vacancies with
transition levels in the valence band. These acceptor-like defects are partially compensated...
BaCuChF (Ch=S,Se,Te) surfaces and BaCuSeF interfaces with zinc phthalocyanine (ZnPc) were studied by photoelectron spectroscopy. BaCuChF compounds oxidize when exposed to ambient atmosphere. Se capping layers were studied as a means to produce representative surfaces for photoelectron spectroscopic measurements. Decapped BaCuSeF surfaces remain O-free and C-free when the Se layer...
SnS is a potential earth-abundant photovoltaic (PV) material. Employing both theory and experiment to assess the PV relevant properties of SnS, we clarify on whether SnS has an indirect or direct band gap and what is the minority carrier effective mass as a function of the film orientation. SnS has...
The electronic structure of the oxychalcogenides LaCuOSe and BiCuOSe has been studied using O K-edge x-ray emission spectroscopy, x-ray absorption spectroscopy, and density functional theory, in order to examine the effects of the M³⁺ ion configurations. The known distortion of the BiO layers in BiCuOSe compared to the LaO layers...
The work presented here is focused on applying basic principles of solid-state chemistry to the study and development of new wide band-gap semiconductors and insulators for photovoltaic and electronic-device applications. Analysis of crystal structure, band structure, optical band gap, morphology and transport properties provides fundamental insight into materials performance as...
The materials Fe₂(Si,Ge)(S,Se)₄, Cu₃PS[subscript 4-x]Se[subscript x] (0 ≤ x ≤ 4), and Cu₃PxAs[subscript 1-x]S₄ (0 ≤ x ≤ 1) have been synthesized and studied as new earth-abundant absorbers for single and multijunction photovoltaic cells as well as solar fuel generation. The synthesis, single-crystal growth, and optical and electrical properties of...
New transparent p- and n-type semiconductors and luminescent materials have been prepared and characterized. Synthesis, structures, optical and electrical properties of new chalcogenide fluoride p-type transparent semiconductors MCuQF (M=Ba, Sr; Q=S, Se, Te) are described. Band-gap tuning and improvement in conductivity through p-type doping are demonstrated in the family. The...
The origin of high hole conduction in BaCuQF (Q=S,Se) was investigated by photoemission
measurements and full-potential linearized augmented plane wave band-structure calculations. In
both compounds, the large dispersion near the top of the valence band is realized by admixed states
of Cu 3d and S 3p or Se 4p orbitals,...
Thin films of the p-type semiconductor, barium copper sulfide fluoride (BaCuSF) were deposited using pulsed laser deposition. Similar p-type conductivity in Cu2O is caused by copper vacancies. Addition of copper dopant is proposed as a method for filling the copper vacancies in BaCuSF. The films are characterized to determine quality...
The subject of this PhD thesis is part of a research domain of great present interest in new semiconductor materials for photovoltaic and thermoelectric applications. This domain contains the elaboration and the study of both Cu-based chalcogenides bulk and thin-film samples, driven by materials design principles.
One of the most...
This dissertation outlines two approaches for improving the efficiency and reducing the cost of photovoltaic energy generation. First, the structures of known binary copper and iron compounds are used to choose the promising compositions Fe₂XS₄ (X = Si, Ge), Cu₃TaQ₄ (Q = Se, Te), and BaCuQ'F (Q' = S, Se,...