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We investigate the linear and nonlinear electric polarizabilities of smallAl4M4 (M=Li, Na and K) clusters. Quantum chemical calculations reveal thatthese compounds exhibit an exceptionally high magnitude of linear and nonlinearoptical (NLO) coefficients which are orders of magnitude higher than theconventional pi-conjugated systems of similar sizes. We attribute suchphenomenal increase to non-centrosymmetricity incorporated in the systems bythe alkali atoms surrounding the ring leading to charge transfer with smalloptical gap and low bond length alternation (BLA). Such a low magnitude of theBLA from a different origin, suggests the possibility that these clusters arearomatic in character and along with the large NLO coefficients they appear tobe better candidates for next generation NLO fabrication devices

Charge-Transfer Induced Large Nonlinear Optical Properties of Small Al Clusters: Al4M4 (M = Li, Na, and K)

Charge-Transfer Induced Large Nonlinear Optical Properties of Small Al Clusters: Al₄M₄ (M = Li, Na, and K)