RESUMO
We investigate the specific influence of structural disorder on the suppression of antiferromagnetic order and on the emergence of cuprate superconductivity. We single out pure disorder, by focusing on a series of [Formula: see text] samples at fixed oxygen content yâ = 0.35, in the range [Formula: see text]. The gradual Y/Eu isovalent substitution smoothly drives the system through the Mott-insulator to superconductor transition from a full antiferromagnet with Néel transition [Formula: see text] K at z = 0 to a bulk superconductor with superconducting critical temperature [Formula: see text] K at z = 1, [Formula: see text]. The electronic properties are finely tuned by gradual lattice deformations induced by the different cationic radii of the two lanthanides, inducing a continuous change of the basal Cu(1)-O chain length, as well as a controlled amount of disorder in the active Cu(2)O2 bilayers. We check that internal charge transfer from the basal to the active plane is entirely responsible for the doping of the latter and we show that superconductivity emerges with orthorhombicity. By comparing transition temperatures with those of the isoelectronic clean system we determine the influence of pure structural disorder connected with the Y/Eu alloy.
RESUMO
Using density-functional ab initio theoretical techniques, we study (Ga1-x In x )2O3 in both its equilibrium structures (monoclinic [Formula: see text] and bixbyite) and over the whole range of composition. We establish that the alloy exhibits a large and temperature-independent miscibility gap. On the low-x side, the favored phase is isostructural with [Formula: see text]-Ga2O3; on the high-x side, it is isostructural with bixbyite In2O3. The miscibility gap opens between approximately 15% and 55% In content for the bixbyite alloy grown epitaxially on In2O3, and 15% and 85% In content for the free-standing bixbyite alloy. The gap, volume and band offsets to the parent compound also exhibit anomalies as function of x. Specifically, the offsets in epitaxial conditions are predominantly type-B staggered, but have opposite signs in the two end-of-range phases.
RESUMO
The question of optical bandgap anisotropy in the monoclinic semiconductor ß-Ga2O3 was revisited by combining accurate optical absorption measurements with theoretical analysis, performed using different advanced computation methods. As expected, the bandgap edge of bulk ß-Ga2O3 was found to be a function of light polarization and crystal orientation, with the lowest onset occurring at polarization in the ac crystal plane around 4.5-4.6 eV; polarization along b unambiguously shifts the onset up by 0.2 eV. The theoretical analysis clearly indicates that the shift in the b onset is due to a suppression of the transition matrix elements of the three top valence bands at Γ point.
RESUMO
The E' center is a paradigmatic radiation-induced defect in SiO2 whose peculiar EPR and hyperfine activity has been known for over 40 years. This center has been traditionally identified with a distorted, positively charged oxygen vacancy V(+)O. However, no direct proof of the stability of this defect has ever been provided, so that its identification is still largely incomplete. Here we prove directly that distorted V(+)O is metastable and that it satisfies the key requirements for its identification as E', such as thermal and optical response, and activation-deactivation mechanisms.