Mater.Phys.Mech.(MPM)
No 1, Vol. 20, 2014, pages 44-50

ELECTRONIC PROPERTIES OF QUASI-TWO-DIMENSIONAL MOLYBDENUM
DISULFIDE WITH Fe, Co, AND Ni IMPURITIES

Olga A. Kozlova

Abstract

Possibility of molybdenum disulfide (MoS2) manifest magnetic properties under Fe, Co, and Ni impurities condition is shown. Density of electron state and band diagram of quasi-two-dimensional structure of MoS2 with Fe, Co, and Ni impurity clusters are presented. Calculations were carried out using VASP (Vienna Ab initio Simulation Package).

Keywords: molybdenum disulfide; impurity clusters; quasi-two-dimensional structure; electronic properties

full paper (pdf, 1472 Kb)