相关论文: Understanding H-defect complexes in ZnO
The structural, electronic, and optical properties of twelve multicomponent oxides with layered structure, RAMO$_4$, where R$^{3+}$=In or Sc; A$^{3+}$=Al or Ga; and M$^{2+}$=Ca, Cd, Mg, or Zn, are investigated using first-principles density…
We present results of magneto-optical measurements and theoretical analysis of shallow bound exciton complexes in bulk ZnO. Polarization and angular dependencies of magneto-photoluminescence spectra at 5 T suggest that the upper valence…
A functionally graded Al-doped ZnO structure is presented which combines conductivity, visible transparency and light scattering with mechanical flexibility. The nano and meso-architecture, constituted by a hierarchical, large surface area,…
The electrical conductance of atomic metal contacts represents a powerful tool to detect nanomagnetism. Conductance reflects magnetism through anomalies at zero bias -- generally with Fano lineshapes -- due to the Kondo screening of the…
We generalize and systematize basic experimental data on optical and luminescence properties of ZnO single crystals, thin films, powders, ceramics, and nanocrystals. We consider and study mechanisms by which two main emission bands occur, a…
In recent times, two dimensional (2D) ZnO has attracted a great attention in the field of nano-research due to its extraordinary electronic, thermal and optical properties. In this paper, we have explored the effects of halogen impurity…
We show a way to pattern the visible electroluminescence of solution-processed mesoporous ZnO layers. Our approach consists in locally changing the nanoscale morphology of the coated ZnO layers by patterning the underlying surface with thin…
It has been known for decades that a magnetic field can deflect phonons as they flow in response to a thermal gradient, producing a thermal Hall effect. Several recent experiments have revealed ratios of the phonon Hall conductivity to the…
Although the two-dimensional electron gas (2DEG) in (001) Zn$_{1-x}$Mg$_x$O/ZnO heterostructures has been discovered for about twenty years, the origin of the 2DEG is still inconclusive. In the present letter, the formation mechanisms of…
Neutron Compton Scattering measurements in a variety of materials have shown a relative deficit in the total signal from hydrogen compared to deuterium and heavier ions. We show here that a breakdown in the Born-Oppenheimer approximation in…
A novel and direct method is proposed to assess the doping limits of semiconducting materials. Applied to the case of ZnO, our first-principles calculations demonstrate that p-type ZnO is thermodynamically unstable.
Motivated by the wide ranging experimental results on the conductivity of DNA, we have investigated extraordinary configurations and chemical environments in which DNA might become a true molecular wire, perticularly from enhanced…
Modeling charge transport in DNA is essential to understand and control the electrical properties and develop DNA-based nanoelectronics. DNA is a fluctuating molecule that exists in a solvent environment, which makes the electron…
Defects in crystals are leading candidates for photon-based quantum technologies, but progress in developing practical devices critically depends on improving defect optical and spin properties. Motivated by this need, we study a new defect…
We investigated the optical properties of epitaxial \textit{n}- and \textit{p}-type ZnO films grown on lattice-matched ScAlMgO$_4$ substrates. Chemical doping yielded a severe inhomogeneity in a statistical distribution of involved charged…
Heterostructures comprising uncoated ZnO and coated with thin layers of Ga$_2$O$_3$ were produced using spin-coating and subsequent hydrothermal processing. X-ray diffraction examination verifies the structural integrity of the synthesized…
Hafnium dioxide (HfO2) is a CMOS-compatible ferroelectric showing both 180{\deg} and 90{\deg} switching, yet the microscopic nature of the 90{\deg} pathway remains unresolved. We show that the 90{\deg} rotation pathway, negligible in…
The geometrical structure and photoexcitation properties of Zn27-nCdnO27C42 complexes are investigated by density functional theory (DFT) and time-dependent DFT calculations at the PBE0/6-31G*/SDD level of theory. The cohesive energy and…
The magnetic transition-metal (TM) @ oxide nanoparticles have been of great interest due to their wide range of applications, from medical sensors in magnetic resonance imaging to photo-catalysis. Although several studies on small clusters…
We present a theory for recent STM studies of Zn impurities in the superconductor BSCCO, using insights from NMR experiments which show that there is a net S=1/2 moment on the Cu ions near the Zn. We argue that the Kondo spin dynamics of…