TY - JOUR
T1 - Structural, magnetic, and optical properties of BiFeO3 and Bi2 FeMnO6 epitaxial thin films
T2 - An experimental and first-principles study
AU - Bi, Lei
AU - Taussig, Alexander R.
AU - Kim, Hyun Suk
AU - Wang, Lei
AU - Dionne, Gerald F.
AU - Bono, D.
AU - Persson, K.
AU - Ceder, Gerbrand
AU - Ross, C. A.
PY - 2008/9/8
Y1 - 2008/9/8
N2 - BiFeO3 and Bi2 FeMnO6 films were epitaxially grown on SrTiO3 (001) substrates by pulsed-laser deposition, and their structural, magnetic, magneto-optical and optical properties were measured. In Bi2 FeMnO6, Fe is mainly present in the 3+ valence state, while Mn shows multivalence states. Bi2 FeMnO6 exhibits low magnetization at room temperature and at 5 K indicating there is no significant B -site ordering. The BiFeO3 film shows high optical transparency, while Bi2 FeMnO6 shows high absorption loss in the infrared. Density-functional theory modeling of BiFeO3, BiMnO3 and Bi2 FeMnO6 was carried out by applying the generalized gradient approximation (GGA) and GGA+U methods. The formation enthalpy of ordered Bi2 FeMnO6 is positive for several crystal symmetries and for ferromagnetic (FM) or antiferromagnetic (AFM) spin structures at 0 K temperature, indicating B -site ordering is not favored. The electronic structure calculations are consistent with the electronic and optical properties of these films.
AB - BiFeO3 and Bi2 FeMnO6 films were epitaxially grown on SrTiO3 (001) substrates by pulsed-laser deposition, and their structural, magnetic, magneto-optical and optical properties were measured. In Bi2 FeMnO6, Fe is mainly present in the 3+ valence state, while Mn shows multivalence states. Bi2 FeMnO6 exhibits low magnetization at room temperature and at 5 K indicating there is no significant B -site ordering. The BiFeO3 film shows high optical transparency, while Bi2 FeMnO6 shows high absorption loss in the infrared. Density-functional theory modeling of BiFeO3, BiMnO3 and Bi2 FeMnO6 was carried out by applying the generalized gradient approximation (GGA) and GGA+U methods. The formation enthalpy of ordered Bi2 FeMnO6 is positive for several crystal symmetries and for ferromagnetic (FM) or antiferromagnetic (AFM) spin structures at 0 K temperature, indicating B -site ordering is not favored. The electronic structure calculations are consistent with the electronic and optical properties of these films.
UR - http://www.scopus.com/inward/record.url?scp=51749096607&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.78.104106
DO - 10.1103/PhysRevB.78.104106
M3 - Article
AN - SCOPUS:51749096607
SN - 1098-0121
VL - 78
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 10
M1 - 104106
ER -