• 1
  • 2
  • 5
  • 6
  • 3
  • 4
IPM
30
YEARS OLD

“School of Physic”

Back to Papers Home
Back to Papers of School of Physic

Paper   IPM / Physic / 12116
School of Physics
  Title:   Substitutional Doping of Cu in Diamond: Mott Physics with P Orbitals
  Author(s): 
1.  H.H. Arefi
2.  S.A. Jafari
3.  M.R. Abolhassani
  Status:   Published
  Journal: Eur. Phys. J. B
  Vol.:  77
  Year:  2010
  Pages:   331-336
  Supported by:  IPM
  Abstract:
Discovery of superconductivity in the impurity band formed by heavy doping of boron into diamond (C:B) as well as doping of boron into silicon (Si:B) has provided a rout for the possibility of new families of superconducting materials. Motivated by the special role played by copper atoms in high temperature superconducting materials where essentially Cu d orbitals are responsible for a variety of correlation induced phases, in this paper we investigate the effect of substitutional doping of Cu into diamond. Our extensive first principle calculations based on density functional theory which are averaged over various geometries indicate the formation of a mid-gap band, which mainly arises from the t2g and 4p states of Cu. For impurity concentrations of more than #8764;1atoms can be ignored. Based on our detailed analysis, we suggest a two band model for the mid-gap states consisting of a quarter-filled hole like t2g band, and a half-filled band of 4p states. Increasing the concentration of the Cu impurity beyond #8764;5

Download TeX format
back to top
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
scroll left or right