First-principles investigation of the electronic structure and magnetism of eskolaite

The electronic structure and magnetism of eskolaite are studied by using first-principles calculations where the on-site Coulomb interaction and the exchange interaction are taken into account and the LSDA+U method is used.The calculated energies of magnetic configurations are very well fitted by the Heisenberg Hamiltonian with interactions in five neighbour shells; interaction with two nearest neighbours is found to be dominant. The Neel temperature is calculated in the spin-3/2 pair-cluster approximation. It is found that the measurements are in good agreement with for the values of U and J that are close to those obtained within the constrained occupation method.The band gap is of the Mott-Hubbard type.

Competitions of magnetism and superconductivity in FeAs-based materials

Using the numerical unrestricted Hartree-Fock approach, we study the ground state of a two-orbital model describing newly discovered FeAs-based superconductors. We observe the competition of a (0, π) mode spin-density wave and the superconductivity as the doping concentration changes. There might be a small region in the electron-doping side where the magnetism and superconductivity coexist. The superconducting pairing is found to be spin singlet,orbital even, and coexisting sxy + dx~2-y~2 wave (even parity).

Study on Mechanics Parameters of Unloaded Rock Mass about the Underground Powerhouse of Jin-ping Hydroelectric Station

After the excavation of Jinping underground cavern, a strong expansion appears along the unloading direction of the rock mass, mainly in the type of tensile rupture, accompanied by shear destruction, unloading resulted in significant deterioration of mechanical properties of rock. Based on the in-site investigation of rock mass structure, via analyzing the acoustic testing data, we identify the unloading range of the side walls and the division of rock types, and carry out with the solution of rock mechanical parameters about different unloading zone, providing geological foundation for the supporting design of the following design of the side walls, at the same time, providing reference for the selection of mechanical parameters of other underground excavation engineering with similar geological conditions.