External Electric Field Mediated Quantum Phase Transitions in One-Dimensional Charge Ordered Insulators: A DMRG Study

We perform density matrix renormalization group (DMRG) calculations extensively on one-dimensional chains with on site (U) as well as nearest neighbour (V) Coulomb repulsions. The calculations are carried out in full parameter space with explicit inclusion of the static bias and we compare the nature of spin density wave (SDW) and charge density wave (CDW) insulators under the influence of external electric field. We find that, although the SDW (U>2V) and CDW (U<2V) insulators enter into a conducting state after a certain threshold bias, CDW insulators require much higher bias than the SDW insulators for insulator-metal transition at zero temperature. We also find the CDW-SDW phase transition on application of external electric field. The bias required for the transitions in both cases decreases with increase in system size.Comment: 7 pages, 7 figures, accepted in J. Phys.: Condens. Matte

Charge-transfer induced large nonlinear optical properties of small Al Clusters: Al4M4

We investigate the linear and nonlinear electric polarizabilities of small Al4M4 (M=Li, Na and K) clusters. Quantum chemical calculations reveal that these compounds exhibit an exceptionally high magnitude of linear and nonlinear optical (NLO) coefficients which are orders of magnitude higher than the conventional pi-conjugated systems of similar sizes. We attribute such phenomenal increase to non-centrosymmetricity incorporated in the systems by the alkali atoms surrounding the ring leading to charge transfer with small optical gap and low bond length alternation (BLA). Such a low magnitude of the BLA from a different origin, suggests the possibility that these clusters are aromatic in character and along with the large NLO coefficients they appear to be better candidates for next generation NLO fabrication devices