Electron correlation and spin-orbit coupling effects in US3 and USe3

A systematic density functional theory (DFT)+U study is conducted to investigate the electron correlation and spin-orbit coupling (SOC) effects in US3 and USe3. Our calculations reveal that inclusion of the U term is essential to get energy band gaps for them, indicating the strong correlation effects for uranium 5f electrons. Taking consideration of the SOC effect results in small reduction on the electronic band gaps of US3 and USe3, but largely changes the energy band shapes around the Fermi energy. As a result, US3 has a direct band gap while USe3 has an indirect one. Our calculations predict that both US3 and USe3 are antiferromagnetic insulators, in agreement with corresponding experimental results. Based on our DFT+U calculations, we systematically present the ground-state electronic, mechanical, and Raman properties for US3 and USe3.Comment: 6 pages, 6 figure

Fast quantum information transfer with superconducting flux qubits coupled to a cavity

We present a way to realize quantum information transfer with superconducting flux qubits coupled to a cavity. Because only resonant qubit-cavity interaction and resonant qubit-pulse interaction are applied, the information transfer can be performed much faster, when compared with the previous proposals. This proposal does not require adjustment of the qubit level spacings during the operation. Moreover, neither uniformity in the device parameters nor exact placement of qubits in the cavity is needed by this proposal.Comment: 6 pages, 3 figure

Long-Run Purchasing Power Parity with Asymmetric Adjustment: Evidence from Mainland China and Taiwan

This study applies threshold cointegration test advanced by Enders and Siklos (2001) to investigate the properties of asymmetric adjustment in long-run purchasing power parity (PPP) for both Mainland China and Taiwan during the January 1986 to October 2009 period. Although there is evidence of long-run PPP for both Mainland China and Taiwan, the adjustment mechanism is asymmetric. These results have important policy implications for both Mainland China and Taiwan under study.threshold cointegration test; Purchasing Power Parity; asymmetric adjustment; Mainland China; Taiwan

Electronic, mechanical, and thermodynamic properties of americium dioxide

By performing density functional theory (DFT) +$U$ calculations, we systematically study the electronic, mechanical, tensile, and thermodynamic properties of AmO$_{2}$. The experimentally observed antiferromagnetic insulating feature [J. Chem. Phys. 63, 3174 (1975)] is successfully reproduced. It is found that the chemical bonding character in AmO$_{2}$ is similar to that in PuO$_{2}$, with smaller charge transfer and stronger covalent interactions between americium and oxygen atoms. The valence band maximum and conduction band minimum are contributed by 2$p-5f$ hybridized and 5$f$ electronic states respectively. The elastic constants and various moduli are calculated, which show that AmO$_{2}$ is less stable against shear forces than PuO$_{2}$. The stress-strain relationship of AmO$_{2}$ is examined along the three low-index directions by employing the first-principles computational tensile test method. It is found that similar to PuO$_{2}$, the [100] and [111] directions are the strongest and weakest tensile directions, respectively, but the theoretical tensile strengths of AmO$_{2}$ are smaller than those of PuO$_{2}$. The phonon dispersion curves of AmO$_{2}$ are calculated and the heat capacities as well as lattice expansion curve are subsequently determined. The lattice thermal conductance of AmO$_{2}$ is further evaluated and compared with attainable experiments. Our present work integrally reveals various physical properties of AmO$_{2}$ and can be referenced for technological applications of AmO$_{2}$ based materials.Comment: 23 pages, 8 figure