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Title: First principle study of manganese doped cadmium sulphide sheet

First-principle electronic structure calculations for cadmium sulphide (CdS) sheet in hexagonal phase, with Manganese substitution and addition, as well as including the Cd defects, are investigated. The lattice constants calculated for CdS sheet agrees fairly well with results reported for thin films experimentally. The calculations of total spin density of states and partial density of states in different cases shows substantial magnetic dipole moments acquired by the sheet. A magnetic dipole moment 5.00612 μ{sub B} and band gap of the order 1 eV are found when cadmium atom is replaced by Manganese. The magnetism acquired by the sheet makes it functionally important candidate in many applications.
Authors:
 [1] ; ;  [2]
  1. Department of Physics, St. Bede's College, Shimla-171002 (India)
  2. Department of Physics, Himachal Pradesh University, Shimla-171005 (India)
Publication Date:
OSTI Identifier:
22269402
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1591; Journal Issue: 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CADMIUM; CADMIUM SULFIDES; DEFECTS; DENSITY; DOPED MATERIALS; ELECTRONIC STRUCTURE; LATTICE PARAMETERS; MAGNETIC DIPOLE MOMENTS; MAGNETISM; MANGANESE; SPIN; THIN FILMS