Correlation and Dimerization Effects on the Physical Behavior of the $NR_4 [Ni(dmit)_2]_2$ Charge Transfer Salts : A DMRG Study of the Quarter-Filling t-J Model

Marie-Liesse Doublet; Marie-Bernadette Lepetit

doi:10.1063/1.477884

paper

Correlation and Dimerization Effects on the Physical Behavior of the $N R_{4} [N i (d mi t)_{2}]_{2}$ Charge Transfer Salts : A DMRG Study of the Quarter-Filling t-J Model

arXiv:cond-mat/9809413 · doi:10.1063/1.477884

Abstract

The present work studies the quasi one-dimensional $N i (d mi t)_{2}$ -based compounds within a correlated model. More specifically, we focus our attention on the composed influence of the electronic dimerization-factor and the repulsion, on the transport properties and the localization of the electronic density in the ground-state. Those properties are studied through the computation of the charge gaps (difference between the ionization potential and the electro-affinity: IP-EA) and the long- and short-bond orders of an infinite quarter-filled chain within a $t - J (t, U)$ model. The comparison between the computed gaps and the experimental activation energy of the semiconductor $N H_{2} M e_{2} [N i (d mi t)_{2}]_{2}$ allows us to estimate the on-site electronic repulsion of the $N i (d mi t)_{2}$ molecule to $1.16 e V$ .

13 pages, 4 figures, RevTeX

References in corpus (1)

Charge gap in the one--dimensional dimerized Hubbard model at quarter-filling

Correlation and Dimerization Effects on the Physical Behavior of the NR4​[Ni(dmit)2​]2​ Charge Transfer Salts : A DMRG Study of the Quarter-Filling t-J Model

Abstract

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Correlation and Dimerization Effects on the Physical Behavior of the $N R_{4} [N i (d mi t)_{2}]_{2}$ Charge Transfer Salts : A DMRG Study of the Quarter-Filling t-J Model