“School of Physics”
Back to Papers HomeBack to Papers of School of Physics
| Paper IPM / P / 9469 |
|
||||||||
| Abstract: | |||||||||
|
In this paper we have investigated the electronic properties of Fe(OH)2 hydroxide by using the LSDA+U as well as the generalized gradient approximation. Our calculations for the iron-hydroxide show that the LSDA results are greatly at variance with experimental findings. On the other hand we have shown that LSDA+U is capable of opening a gap at the Fermi level resulting in insulating ground state in agreement with experimental observations.
Download TeX format |
|||||||||
| back to top | |||||||||
