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In this work, the effect of CuPtB ordering on the optoelectronic properties of Ga0.5In0.5P is studied by combining in situ transmission electron microscopy measurements and density functional theory (DFT) calculations. GaInP layers were grown by metal organic vapor phase epitaxy with a CuPtB single-variant-induced ordering due to the intentional misorientation of the Ge(001) substrate. Moreover, the degree of order was controlled using Sb as the surfactant without changing other growth parameters. The presence of antiphase ordered domain boundaries (APDBs) between the ordered domains is studied as a function of the order parameter. The in situ electrical measurements on a set of samples with controlled degree of order evidence a clear anisotropic electrical conductivity at the nanoscale between the [110] and [1-10] orientations, which is discussed in terms of the presence of APDBs as a function of the degree of order. Additionally, DFT calculations allow to determine the differences in the optoelectronic properties of the compound with and without ordering through the determination of the dielectric function. Finally, the anisotropy of the electrical conductivity for the ordered case is also discussed in terms of the effective mass calculated from the band structure on specific k-paths. By comparing the experimental measurements and the theoretical calculations, two factors have been presented as the main contributors of the electric conductivity anisotropy of CuPtB-type ordered GaInP thin films: antiphase boundaries that separate domains with uniform order (APDBs) and the anisotropy of the effective mass due to the alternating of In/Ga rich planes.

Pioneering electron energy loss spectroscopy (EELS) measurements of α-Bi2O3 are performed on three samples obtained through different synthesis methods. Experimental low-loss and core-loss EELS spectra are acquired. By combining them with detailed structural characterization and Density Functional Theory (DFT) simulations, we are able to detect and evaluate the presence of oxygen vacancies in the samples. This type of information has not been accessed previously from EELS data in bismuth oxide, because high-resolution EELS spectra or how vacancies reflect in Bi2O3 spectra were unreported. This novel measurement is further validated through comparison with photoluminescence data. Therefore, the technique has the ability to probe oxygen vacancies in Bi2O3 at an unprecedented resolution, which might allow solving material science and technological issues related to this material.

Nanostructured metal oxide semiconductors are ideally suited for their integration in different devices due to their high thermal and mechanical stability, unique electronic characteristics, and low-cost fabrication. The modification of their surface allows the design of heterostructures with novel properties. In this work, we have synthesized single-crystalline niobium pentoxide (Nb2O5) nanorods and niobium-pentoxide-coated tin oxide (Nb2O5/SnO2) heterostructures by chemical vapor deposition. HR-TEM analysis and computer simulation studies showed the low density of defects and high crystallinity of the Nb2O5 nanorods, which exhibited high sensitivity toward humidity at low temperatures (60 °C). The fabrication of SnO2/Nb2O5 core–shell heterostructures combines the high sensitivity of Nb2O5 shell toward moisture with the good electrical conductivity of SnO2. The growth of the nanoscopic Nb2O5 overlayer on SnO2 nanowires introduces defects in the structure, which influence the electronic properties of the ...