Current position : Asst. Prof. (BIT) and (Part Time Fellow)
Date of original joining the lab: 2.06.05
M.Sc: University: Calcutta University (2002-‘04)
Researcgh area and interest:It is of fundamental interest to study the properties of clusters, because these pave the way for studying the stepwise metamorphosis of a matter from an atom to the bulk. In homogeneous clusters the properties can be tailored simply by varying the size of the cluster. Although the introduction of an impurity atom can play a pivotal role in tuning the structural, electronic, magnetic, optical and catalytic properties of homo-atomic clusters, such studies relatively less since it requires complex experimental arrangements as well as one has to handle a number of isomers for theoretical evaluation. During the last periods I have focused on the computational study of electronic and magnetic properties of different kinds of doped free and supported clusters having important applications in the arena of nanotechnology. First principles calculations have been carried out using state of art packages viz. VASP (plane wave basis set), DMol3 (localized basis set) etc based on Density functional theory (DFT).
The
work can be segmented in different parts namely (a) designing nano-structured
materials for storage of molecular hydrogen, (b) tuning of magnetic properties
of doped metal clusters and (c) fragmentation behavior of doped group-IV
elemental clusters, (d) catalytic activity of Tungsten cluster (Wn;
n = 1 to 6) supported on anchored graphite (0001) surface.
List of publication:
1. Ti-Decorated Doped Silicon Fullerene: A candidate nanostructure for Hydrogen storage, S. Barman, P. Sen and G. P. Das, J. Phys. Chem. C, 2008, 112 (50), 19963-19968
2. Enhanced magnetic moment in Fe-doped Pdn clusters (n=1 - 13, S. Barman, D. G. Kanhere and G. P. Das, J. Phys.: Condens. Matter 21 396001(2009)
3. Ground state properties & fragmentation behavior of SnnPb and PbnSn binary clusters, B. Waldschmidt, S. Barman, C. Rajesh, C. Majumder,G. P. Das, R. Schäfer PRB 79, 045422 (2009)
4. Structural
and electronic properties of Snn−1Pb and Pbn−1Sn clusters: a theoretical investigation through first principles
calculations
S.
Barman, C. Rajesh, G.P. Das, and C.
Majumder, Eur. Phys. J. D 55, 613–625
(2009)
5. Systematic study of magnetic fluctuation in TM@FePd11 clusters : TM=Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, SonaliBarman, D. G. Kanhere and G. P. Das (Communicated)
6. Wn-clusters supported on anchored graphite (0001) surface : a density functional study, Sonali Barman , Y. Kawazoe and G. P. Das (Communicatd)
