Spintronics is one of the most promising next generation information technology, which uses the spins of electrons as information carriers and possesses potential advantage in speeding up data processing with high circuit integration density and low energy consumption. Despite its great potential advantages, spintronics now faces a number of...
Very recently, a novel Dirac half-metal has been investigated in the perovskite-type lanthanum manganite (LaMnO3) by Ma et al. and the half metallicity with 100% spin polarization is discovered. More remarkably, multiple linear Dirac crossings are observed around the Fermi energy level in the spin-up direction. Inspired by...
The 3d orbitals, for example, consist of: dxy, dxz, dyz, dx²−y², dz² For environments with spherical symmetry, these 5 orbitals are degenerate, meaning they have the same energy. Spherical symmetry means every direction looks the same from the point of view of the atom. A single atom floating around in free space meets this...
DFT+U calculation has emerged as a means to improve the electronic properties prediction at a computational cost comparable to that required by a standard DFT calculation. In a DFT+U calculation, Hubbard-type interactions are included in the standard exchange correlation functional of local density approximation (LDA) or generalized-gradient approximation (GGA)...
Magnetic moments are often used in conjunction with electronic spectra to gain information about the oxidation number and stereochemistry of the central metal ion in coordination complexes. A common laboratory procedure for the determination of the magnetic moment for a complex is the Gouy method which involves weighing a...
The Brillouin-zone database offers k-vector tables and figures which form the background of a classification of the irreducible representations of all 230 space groups. The band theory describes the electronic properties of periodic systems. It calculates the allowed energy states for the electrons within the system. There are two types...