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Phosphorus carbides: theory and experiment
F Claeyssens1, G M Fuge, N L Allan
1School of Chemistry, University of Bristol, Bristol, UK BS8 1TS.
Dalton Transactions (Cambridge, England : 2003)
|September 29, 2004
Summary
Researchers explored novel phosphorus carbide materials, investigating both crystalline structures using density-functional theory and amorphous films via pulsed laser ablation. This work advances the understanding and potential applications of these advanced materials.
Area of Science:
- Materials Science
- Solid State Physics
- Computational Chemistry
Background:
- Recent advancements in radio frequency plasma activation of methane/phosphine mixtures have enabled the synthesis of phosphorus carbide films.
- This has spurred interest in exploring new phosphorus carbide materials with unique properties.
Purpose of the Study:
- To investigate the electronic structure and stability of crystalline phosphorus carbide phases.
- To experimentally produce and characterize hydrogen-free amorphous phosphorus carbide thin films.
Main Methods:
- First-principles density-functional theory calculations were employed to study crystalline P(x)C(y) phases (P(4)C(3+8n), PC, PC(3)).
- Pulsed laser ablation (PLA) of graphite/phosphorus targets was used to deposit amorphous phosphorus carbide films on Si and quartz substrates.
- Characterization techniques included laser Raman spectroscopy and X-ray photoelectron spectroscopy.
Main Results:
- Theoretical analysis identified stable crystalline phosphorus carbide structures, with particular focus on PC(3) compositions.
- Amorphous, hydrogen-free phosphorus carbide films with varying phosphorus content (0-26 at.%) were successfully deposited.
- The deposited films exhibited mechanical hardness and electrical conductivity, characteristic of diamond-like carbon.
Conclusions:
- The study provides insights into the fundamental properties of crystalline phosphorus carbides.
- Experimental results demonstrate the feasibility of producing hard, conductive phosphorus carbide films using PLA.
- These findings contribute to the development of new materials for diverse technological applications.
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