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Title: Cd{sub 0.9375}Mn{sub 0.0625}S diluted magnetic semiconductor: A DFT study

We studied the spin polarized electronic band structures and magnetic properties of the diluted magnetic semiconductor Cd{sub 1-x}Mn{sub x}S in Zinc Blende phase (B3) with 0.0625 Mn by using ab initio method. The calculations were performed by using Density Functional Theory as implemented in the Spanish Initiative for Electronic Simulations with Thousands of Atoms code using local density approximation (LDA). Calculated electronic band structures and magnetic properties of Cd{sub 1-x}Mn{sub x}S are discussed in terms of contribution of Mn 3d{sup 5} 4s{sup 2}, Cd 4d{sup 10} 5s{sup 2}, S 3s{sup 2} 3p{sup 4} orbitals. The total magnetic moment is found to be 5.00 µb for Cd{sub 1−x}Mn{sub x}S at x=0.0625. This value indicate that Mn atom adds no hole carrier to the perfect CdS crystal. We found that Mn doped systems are ferromagnetic. Calculated results are in good agreement with previous studies.
Authors:
 [1] ; ;  [2]
  1. Guru Nanak College for Girls, Sri Muktsar Sahib, Punjab (India)
  2. Department of Physics, Punjab University, Chandigarh-160014 (India)
Publication Date:
OSTI Identifier:
22488842
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1675; Journal Issue: 1; Conference: AMRP-2015: 4. national conference on advanced materials and radiation physics, Longowal (India), 13-14 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CADMIUM SULFIDES; COMPUTERIZED SIMULATION; CRYSTALS; CUBIC LATTICES; DENSITY; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONIC STRUCTURE; HOLES; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; MANGANESE COMPOUNDS; SPIN ORIENTATION