Search

The 6s2 lone-pair electrons (Pb2+, Bi3+) and 5s2 lone-pair electrons (Sn2+, Sb3+) show different responses to birefringence than they do to second harmonic generation (SHG). In the current work, different mechanisms of birefringence and SHG responses induced by Pb2+/Sn2+ cations were investigated using the first-principles method on AB2O3F2 (A = Ba, Sn, Pb). The obtained birefringence and SHG coefficients were in good agreement with the experimental values. The anisotropic lone-pair electron distribution was found at the states near the Fermi level containing cation sp-oxygen p states. Our analyses showed the birefringences of the AB2O3F2 (A = Ba, Sn, Pb) compounds to be directly affected by the anisotropic lone-pair electron distribution, however, the SHG responses of these three compounds have a more complicated relationship with the hybrid cation-oxygen states. The expanded hybrid cation-oxygen states including the lone-pair states were concluded to endow the PbB2O3F2 compound with a stronger SHG response than those displayed by the other compounds. [ABSTRACT FROM AUTHOR]

In this paper, we study analytically a one-dimensional half-filled Hubbard model with nearest-neighbor Coulomb repulsion (V) and anisotropic spin exchange (J⊥ ≠ Jz) via the bosonization and renormalization-group (RG) techniques, and establish the rich phase diagrams based on the charge-spin separation hypothesis in the weak-coupling regime. The spin exchange anisotropy induces a non-critical behavior of spin correlations. The result indicates that the spin exchange anisotropy has an important impact on the topological phase diagram of the 1D extended Hubbard model. [ABSTRACT FROM AUTHOR]

In this paper, we study the phase diagram of the one-dimensional deformed t-J1-J2 model with frustrated exchange interaction. The introduction of the deformed parameter ζ softens the strength of the induced four- and six-electron interactions caused by the no-double occupancy constraint. For the small ζ and in the weak-coupling regime, we use the bosonization approach and the renormalization group techniques to obtain the phase diagram, which is characterized by the singlet-(SS) and triplet-superconducting (TS), spin-density-wave (SDW) as well as bond-charge-density wave (BCDW) instabilities. The TS and BCDW phases are realized in the whole regime while the SDW and SS correlations depend on J2/J1 < (J2/J1)c or J2/J1 > (J2/J1)c, where (J2/J1)c = 1/3. Furthermore, the deformed model with ζ ≪ 1 is expected to adiabatically connect to the conventional t-J1-J2 model with ζ = 1. [ABSTRACT FROM AUTHOR]