|Pentcheva, Rossitza; Nabi, Hasan Sadat (2008): Interface magnetism in Fe(2)O(3)/FeTiO(3) heterostructures. In: Physical Review B, Vol. 77, No. 17|
To resolve the microscopic origin of magnetism in the Fe(2)O(3)/FeTiO(3)system, we have performed density functional theory calculations thattake into account on-site Coulomb repulsion. By systematically varyingthe concentration, distribution, and charge state of Ti in a hematitehost, we compile a phase diagram of the stability with respect to theend members and find a clear preference to form layered arrangements asopposed to solid solutions. The charge mismatch at the interface isaccommodated through Ti(4+) and a disproportionation in the Fe contactlayer into Fe(2+), Fe(3+), leading to uncompensated moments in thecontact layer and giving first theoretical evidence for the lamellarmagnetism hypothesis. This interface magnetism is associated withimpurity levels in the band gap, showing a half-metallic behavior andmaking Fe(2)O(3)/FeTiO(3)-heterostructures prospective materials forspintronics applications.
|Faculties:||Geosciences > Department of Earth and Environmental Sciences > Crystallography and Materials Science|
|Subjects:||500 Science > 530 Physics|
500 Science > 540 Chemistry
500 Science > 550 Earth sciences and geology
|Deposited On:||10. Mar 2014 14:17|
|Last Modified:||29. Apr 2016 09:16|