Ground-state properties of boron-doped diamond

Boron-doped diamond undergoes an insulator-metal or even a superconducting transition at some critical value of the dopant concentration. We study the equilibrium lattice parameter and bulk modulus of boron-doped diamond experimentally and in the framework of the density functional method for differ...

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Bibliographic Details
Published in:Journal of experimental and theoretical physics 2008-04, Vol.106 (4), p.781-787
Main Authors: Zarechnaya, E. Yu, Isaev, E. I., Simak, S. I., Vekilov, Yu. Kh, Dubrovinsky, L. S., Dubrovinskaia, N. A., Abrikosov, I. A.
Format: Article
Language:English
Subjects:
BORON
Classical and Quantum Gravitation
DENSITY FUNCTIONAL METHOD
DIAMONDS
DOPED MATERIALS
Electronic Properties of Solids
ELECTRONIC STRUCTURE
Elementary Particles
GROUND STATES
INTERSTITIALS
LATTICE PARAMETERS
MATERIALS SCIENCE
NATURAL SCIENCES
NATURVETENSKAP
Particle and Nuclear Physics
Physics
Physics and Astronomy
Quantum Field Theory
Relativity Theory
Solid State Physics
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Summary:Boron-doped diamond undergoes an insulator-metal or even a superconducting transition at some critical value of the dopant concentration. We study the equilibrium lattice parameter and bulk modulus of boron-doped diamond experimentally and in the framework of the density functional method for different levels of boron doping. We theoretically consider the possibility for the boron atoms to occupy both substitutional and interstitial positions and investigate their influence on the electronic structure of the material. The data suggest that boron softens the lattice, but softening due to substitutions of carbon with boron is much weaker than due to incorporation of boron into interstitial positions. Theoretical results obtained for substitution of carbon are in very good agreement with our experiment. We present a concentration dependence of the lattice parameter in boron-doped diamond, which can be used for to identify the levels of boron doping in future experiments.
ISSN:1063-7761
1090-6509
1090-6509
DOI:10.1134/S1063776108040171