Harish-Chandra Research Institute

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cond-mat.mtrl-sci2008★ 12 cited

Structural Ordering and Antisite Defect Formation in Double Perovskites

Prabuddha Sanyal, Sabyasachi Tarat, Pinaki Majumdar

We formulate an effective model for B-B' site ordering in double perovskite materials A_2BB'O_6. Even within the simple framework of lattice-gas type models, we are able to address…

cond-mat.mtrl-sci2007★ 18 cited

First principles study of Sc, Ti and V doped Na $_{n}$ (n =4, 5, 6) clusters: Enhanced magnetic moments

Kalpataru Pradhan, Prasenjit Sen, J. U. Reveles +1

Theoretical studies on the geometry, electronic structure and spin multiplicity of Sc, Ti and V doped Na $_{n}$ (n = 4, 5, 6) clusters have been carried out within a gradient correcte…

cond-mat.mtrl-sci2005

Electronic Structure and Origin of Ferromagnetism in CaB $_{6}$

Zachary M. Helms, Prasenjit Sen, Lubos Mitas

Electronic structure calculations using quantum Monte Carlo (QMC) methods conclusively show that pure CaB $_{6}$ is a narrow-gap semiconductor with an $X$ -point gap $\sim 1.3$ eV. Thi…

Structural Ordering and Antisite Defect Formation in Double Perovskites

First principles study of Sc, Ti and V doped Nan​(n =4, 5, 6) clusters: Enhanced magnetic moments

Electronic Structure and Origin of Ferromagnetism in CaB6​

First principles study of Sc, Ti and V doped Na $_{n}$ (n =4, 5, 6) clusters: Enhanced magnetic moments

Electronic Structure and Origin of Ferromagnetism in CaB $_{6}$