Crystal-field analysis and Zeeman splittings of energy levels of Nd (4f) in GaN

Crystal field and Zeeman splittings for energy levels of Nd3+ in hexagonal AlN

میدان بلوری و ترازهای انرژی یون‌ +3Ce ترکیب 3CeCl

In this paper, the crystal field parameters (CFPs) have been calculated in the framework of the density functional theory using a novel theoretical approach proposed by Pavel Novák et al. and extracting the WANNIER functions from the Bloch eigenstates for the CeCl3 compound. Then, the calculated CFPs  have been used in an effective atomic-like Hamiltonian, including the crystal field, 4f-4f cor...

Crystal field analysis of rare-earth ions energy levels in GaN

Much effort has been put to achieve optoelectronic devices based on Er doped GaN, operating on the intra-4f-shell transitions of erbium. The key issue for good understanding of energy transfer mechanisms to Er and its luminescence properties is the position of Er ions in the crystalline lattice of GaN. After doping, Er ions are assumed to be placed in substitutional position for Ga in GaN. Alth...

Synthesis of Serrated GaN Nanowires for Hydrogen Gas Sensors Applications by Plasma-Assisted Vapor Phase Deposition Method

Nowadays, the semiconductor nanowires (NWs) typically used in hydrogen gas sensors. Gallium nitride (GaN) with a wide band gap of 3.4 eV, is one of the best semiconductors for this function. NWs surface roughness have important role in gas sensors performance. In this research, GaN NWs have been synthesized on Si substrate by plasma-assisted vapor phase deposition at different deposition time, ...

Ground states, excited states, and metal-ligand bonding in rare earth hexachloro complexes: a DFT-based ligand field study.

Metal (4f)-ligand (Cl 3p) bonding in LnCl(6)(3-) (Ln = Ce to Yb) complexes has been studied on the basis of 4f-->4f and Cl,3p-->4f charge-transfer spectra and on the analysis of these spectra within the valence bond configuration interaction model to show that mixing of Cl 3p into the Ln 4f ligand field orbitals does not exceed 1%. Contrary to this, Kohn-Sham formalism of density functional the...