Related papers: Computer modelling of hafnium doping in lithium ni…
To understand the link between doping and electronic properties in high temperature superconductors, we report first-principles calculations on the oxygen doping effect for the single layer cuprate HgBa$_2$CuO$_{4+\delta}$. The doping…
The rapid development of metasurfaces - 2D ensembles of engineered nanostructures - is presently fostering a steady drive towards the miniaturization of many optical functionalities and devices to a subwavelength size. The material…
The actual techniques allowing the fabrication of waveguides in lithium niobate are not able to satisfy one of the demands of modern integrated photonics namely well-controlled tunability of index contrast over a large range of values from…
Undoped and Mn doped ZnO samples with different percentage of Mn content (1 mol%, 2 mol% and 3mol%) were synthesized by a simple solvo-thermal method. We have studied the structural, chemical and optical properties of the samples by using…
Doping is a widely used method to tune physical properties of ferroelectric perovskites. Since doping can induce charges due to the substitution of certain elements, charge effects shall be considered in doped samples. To understand how…
We investigate the electronic structure of nickelate superconductor NdNiO2 upon hole doping, by means of density-functional theory and dynamical mean-field theory. We demonstrate the strong intrinsic hybridization between strongly…
Properties of transition metal (TM) doped single wall (8,0) SiC nanotube is investigated using first principles density functional theory as implemented within quantum espresso code. The properties studied are electronic, optical, and…
In this work, we calculate material gain for long wavelength III-nitride InN and AlInN quantum dot (QD) structures. Strain and QD inhomogeneity are included in the calculations. The study covers (800-2300 nm) wavelength range which is…
Conventional models of planar and bulk heterojunction organic solar cells have been extended by introducing doping in the active layer. We have studied the performance of organic solar cells as a function of dopant concentration. For bulk…
Ferroelectric (FE) metals have been attracting attention as they possess both metallicity and ferroelectricity, the two seemingly incompatible physical properties. An important problem for both fundamental research and potential…
The family of hexagonal manganites is intensively studied for its multiferroicity, magnetoelectric coupling, improper ferroelectricity, functional domain walls, and topology-related scaling behaviors. It is established that these physical…
Photonic integrated circuits are indispensible for data transmission within modern datacenters and pervade into multiple application spheres traditionally limited for bulk optics, such as LiDAR and biosensing. Of particular interest are…
The influence of high-Z dopant (Bromine) in low-Z foam (polystyrene) target on laser-driven fast electron propagation is studied by the 3D hybrid particle-in-cell (PIC)/fluid code HEETS.It is found that the fast electrons are better…
Defect pyrochlore oxides have attracted a great interest as promising luminescent materials due to their flexible composition and high electron/hole mobility. In this work, we investigate the structural and electronic properties of…
Nanomaterials are anticipated to be promising storage media, owing to their high surface-to-mass ratio. The high hydrogen capacity achieved by using graphene has reinforced this opinion and motivated investigations of the possibility to use…
Lithium niobate on insulator (LNOI) waveguides, as an emerging technology, have proven to offer a promising platform for integrated optics, due to their strong optical confinement comparable to silicon on insulator (SOI) waveguides, while…
High-resolution photoemission is used to study the electronic structure of the cuprate superconductor, Bi2212, as a function of hole doping and temperature. A kink observed in the band dispersion in the nodal direction in the…
Robust control over the carrier type is fundamental for the fabrication of nanocrystal-based optoelectronic devices, such as the p-n homojunction, but effective incorporation of impurities in semiconductor nanocrystals and its…
Titanium dioxide is one of the most widely investigated oxides. This is due to its broad range of applications, from catalysis to photocatalysis to photovoltaics. Despite this large interest, many of its bulk properties have been sparsely…
Using density functional theory (DFT), this work explores barium zirconate doped with nitrogen. In addition, we used density functional theory (DFT) to study the BaZrO$_3$'s electrical, optical, and structural properties, and we found that…