相关论文: Dopant levels in large nanocrystals using stochast…
Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…
Systems of closely-spaced resonators can be strongly coupled by interactions mediated by scattered electromagnetic fields. In large systems the resulting response has been shown to be more sensitive to these collective interactions than to…
The electronic properties of hydrogenated, spherical, Si/Ge and Ge/Si core-shell nanocrystals with a diameter ranging from 1.8 to 4.0 nm are studied within Density Functional Theory. Effects induced by quantum confinement and strain on the…
The highest temperature superconductors are electronically inhomogeneous at the nanoscale, suggesting the existence of a local variable which could be harnessed to enhance the superconducting pairing. Here we report the relationship between…
The ground-state properties of the t-J model on a d-dimensional hypercubic lattice are examined in the limit of large d. It is found that the undoped system is an ordered antiferromagnet, and that the doped system phase separates into a…
The treatment of atomic anions with Kohn-Sham density functional theory (DFT) has long been controversial since the highest occupied molecular orbital (HOMO) energy, $E_{HOMO}$, is often calculated to be positive with most approximate…
Integrated microring resonators have a broad range of applications in diverse fields with the potential to design compact, robust, energy-efficient devices crucial for quantum applications. Degenerate optical parametric oscillations (DOPOs)…
Photoionization spectroscopy and mass spectrometry of doped helium (He) nanodroplets rely on the ability to efficiently detect ions and/or electrons. Using a commercial quadrupole mass spectrometer and a photoelectron-photoion coincidence…
Range separated hybrid density functionals are very successful in describing a wide range of molecular and solid state properties accurately. Range separated hybrid functionals are designed from spherically averaged or system averaged…
In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO$_2$. We use a dipole-polarizable potential (DIPPIM) and optimize its parameters by fitting them to a series of DFT…
Doping is considered to be the main method for improving the thermoelectric performance of layered sodium cobaltate (Na$_{1-x}$CoO$_2$). However, in the vast majority of past reports, the equilibrium location of the dopant in the…
This review presents the recent progress in computational materials design, experimental realization, and control methods of spinodal nanodecomposition under three- and two-dimensional crystal-growth conditions in spintronic materials, such…
Ab-initio density functional theory (DFT) calculations of the relative stability of anatase and rutile polymorphs of TiO2 were carried using all-electron atomic orbitals methods with local density approximation (LDA). The rutile phase…
Rare-earth doped crystals have long coherence times and the potential to provide quantum interfaces between microwave and optical photons. Such applications benefit from a high cooperativity between the spin ensemble and a microwave cavity…
The occurrence and development of phase inhomogeneity in {\rm Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$} single crystals have been investigated by measuring their superconducting transition patterns using a high-sensitivity ac magnetometer. We find…
The percentage of substitutional doping of magnetic atoms (Mn) in group-IV-based dilute magnetic semiconductors (DMS) can be increased by co-doping with another conventional electronic dopant (e-dopant) [Zhu et al., Phys. Rev. Lett. 100,…
We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with…
Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…
Gold nanoparticle assemblies show a strong plasmonic response due to the combined effects of the individual nanoparticles' plasmon modes. Increasing the number of nanoparticles in structured assemblies leads to significant shifts in the…
We present an experimental realization of a biased optical periodic potential in the low friction limit. The noise-induced bistability between locked (torsional) and running (spinning) states in the rotational motion of a nanodumbbell is…