First Principles Study on Different Size of Pd-Doped CdS

Ming Ming Li; Pei Ji Wang; Chuan Guang Ding

doi:10.4028/www.scientific.net/AMR.569.198

Paper Titles

A Heterojunction Film Solar Cell of Glass/ITO/CdS/PbS/Al
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Polymerization of D,L-Lactide and In Situ Fabrication of PDLLA Porous Scaffolds in Supercritical Carbon Dioxide
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Optimization of the Composite Cure Process Based on the Thermo-Kinetic Model
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Investigation on the Simulation of SCR Chemical Reaction
p.193

First Principles Study on Different Size of Pd-Doped CdS
p.198

Experimental Research of PCMs - TH29 Using on Building Energy Storage
p.202

Modelling of Electroelastic Behaviour of Embedded Piezoelectric Actuators in Smart Structures: 2D and 3D Effects
p.207

Effect of Different Layers of Glass Cloth on Carbon Fiber Reinforced Hybrid Composite Core
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Effects of Various Parameters on the Coating of Substrates with Trenches
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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 569First Principles Study on Different Size of...

First Principles Study on Different Size of Pd-Doped CdS

Abstract:

The electronic structures and magnetic properties of Pd-doped CdS have been studied by FLAPW method in the GGA. We find that the Pd-doped CdS becomes 100% spin polarized at fermi level when Pd substitutes for Cd atom both in 3×3×2 and 2×2×2 CdS supercells. The supercell magnetic moment reaches to 2.0μB. At the same time, the magnetic coupling interaction makes the occupied states more localized. The magnetism, the density of states, the spin density and band structure were studied as well.

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Periodical:

Advanced Materials Research (Volume 569)

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198-201

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.569.198

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Online since:

September 2012

Authors:

Ming Ming Li, Pei Ji Wang, Chuan Guang Ding

Keywords:

CdS, First-Principle, Magnetism

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