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Journal Article

Normal and superconducting state properties of B-doped diamond from first-principles

MPS-Authors
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Boeri,  L.
Former Research Groups, Max Planck Institute for Solid State Research, Max Planck Society;
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280173

Kortus,  J.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons279734

Andersen,  O. K.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Boeri, L., Kortus, J., & Andersen, O. K. (2006). Normal and superconducting state properties of B-doped diamond from first-principles. Science and Technology of Advanced Materials, 7, S54-S59.


Cite as: https://hdl.handle.net/21.11116/0000-000E-FBA4-E
Abstract
In this paper we give a theoretical description of the superconducting
and normal-state properties of hole-doped diamond based on ab initio
calculations. Our aim is to provide a useful reference to compare the
theoretical predictions with the experimental data. We also discuss the
advantages and drawbacks of the virtual crystal approximation (VCA),
which we adopted to model the boron doping, comparing our results with
supercell calculations. (c) 2006 NIMS and Elsevier Ltd. All rights
reserved.