For authors
Submission status

Archive (English)
      Volume 117
      Volume 116
      Volume 115
      Volume 114
      Volume 113
      Volume 112
      Volume 111
      Volume 110
      Volume 109
      Volume 108
      Volume 107
      Volume 106
      Volume 105
      Volume 104
      Volume 103
      Volume 102
      Volume 101
      Volume 100
      Volume 99
      Volume 98
      Volume 97
      Volume 96
      Volume 95
      Volume 94
      Volume 93
VOLUME 101 | ISSUE 1 | PAGE 50
Electronic and magnetic properties of the new iron-based superconductor [Li1-xFexOH]FeSe
We present the results of paramagnetic LDA band structure calculations: band dispersions, densities of states and Fermi surfaces, for the new iron based high-temperature superconductor LiOHFeSe. Main structural motif providing bands in the vicinity of the Fermi level is FeSe layer which is isostructural to the bulk FeSe prototype superconductor. The bands crossing the Fermi level and Fermi surfaces of the new compound are typical for other iron based superconductors. Experimentally it was shown that introduction of Fe ions into LiOH layer gives rise to ferromagnetic ordering of the Fe ions at TC=10 K. To study magnetic properties of [Li0.8Fe0.2OH]FeSe system we have performed LSDA calculations for \sqrt 5 \times \sqrt 5 superlattice and found ferromagnetism within the Li4Fe(OH) layer. To estimate the Curie temperature we obtained Fe-Fe exchange interaction parameters for Heisenberg model from our LSDA calculations, leading to theoretical value of Curie temperature 10.4 K in close agreement with experiment.