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Title: Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

Abstract

Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

Authors:
; ;  [1]
  1. Department of Physics, Himachal Pradesh University Shimla 171005 (India)
Publication Date:
OSTI Identifier:
21608185
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1349; Journal Issue: 1; Conference: 55. DAE solid state physics symposium 2010, Manipal (India), 26-30 Dec 2010; Other Information: DOI: 10.1063/1.3606047; (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; BULK DENSITY; CONTRACTION; CRYSTAL STRUCTURE; ELECTRONS; ENERGY-LEVEL DENSITY; FERMI LEVEL; LAYERS; PALLADIUM OXIDES; PLATINUM; RELAXATION; SLABS; SURFACES; THICKNESS; CHALCOGENIDES; DENSITY; DIMENSIONS; ELEMENTARY PARTICLES; ELEMENTS; ENERGY LEVELS; FERMIONS; LEPTONS; METALS; OXIDES; OXYGEN COMPOUNDS; PALLADIUM COMPOUNDS; PHYSICAL PROPERTIES; PLATINUM METALS; TRANSITION ELEMENT COMPOUNDS; TRANSITION ELEMENTS

Citation Formats

Kaushal, Ashok K., Mullick, Shanta, and Ahluwalia, P. K. Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness. United States: N. p., 2011. Web. doi:10.1063/1.3606047.
Kaushal, Ashok K., Mullick, Shanta, & Ahluwalia, P. K. Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness. United States. doi:10.1063/1.3606047.
Kaushal, Ashok K., Mullick, Shanta, and Ahluwalia, P. K. Fri . "Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness". United States. doi:10.1063/1.3606047.
@article{osti_21608185,
title = {Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness},
author = {Kaushal, Ashok K. and Mullick, Shanta and Ahluwalia, P. K.},
abstractNote = {Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.},
doi = {10.1063/1.3606047},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1349,
place = {United States},
year = {2011},
month = {7}
}