Structural, electronic and magnetic properties of Au-based monolayer derivatives in honeycomb structure

Journal Article · Mon May 23 00:00:00 EDT 2016 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4947734· OSTI ID:22606316

Kapoor, Pooja; Sharma, Munish; Ahluwalia, P. K. ^[1]; Kumar, Ashok ^[2]

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1. Physics Department, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India)
2. Centre for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India, 151001 (India)

We present electronic properties of atomic layer of Au, Au{sub 2}-N, Au{sub 2}-O and Au{sub 2}-F in graphene-like structure within the framework of density functional theory (DFT). The lattice constant of derived monolayers are found to be higher than the pristine Au monolayer. Au monolayer is metallic in nature with quantum ballistic conductance calculated as 4G{sub 0}. Similarly, Au{sub 2}-N and Au{sub 2}-F monolayers show 4G{sub 0} and 2G{sub 0} quantum conductance respectively while semiconducting nature with calculated band gap of 0.28 eV has been observed for Au{sub 2}-O monolayer. Most interestingly, half metalicity has been predicted for Au{sub 2}-N and Au{sub 2}-F monolayers. Our findings may have importance for the application of these monolayers in nanoelectronic and spintronics.

• OSTI ID: 22606316
• Journal Information: AIP Conference Proceedings, Vol. 1731, Issue 1; Conference: DAE solid state physics symposium 2015, Uttar Pradesh (India), 21-25 Dec 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
DENSITY
DENSITY FUNCTIONAL METHOD
FLUORINE
GOLD
GRAPHENE
HONEYCOMB STRUCTURES
LATTICE PARAMETERS
LAYERS
MAGNETIC PROPERTIES
NANOELECTRONICS
NITROGEN
OXYGEN
SIMULATION