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cond-mat.mtrl-sci2008★ 319 cited
Avoiding the polarization catastrophe in LaAlO3 overlayers on SrTiO3(001) through a polar distortion
R. Pentcheva, W. E. Pickett
A pronounced uniform polar distortion extending over several unit cells enables thin LaAlO3 overlayers on SrTiO3(001) to counteract the charge dipole and thereby neutralize the "po…
cond-mat.mtrl-sci2008★ 51 cited
Interface magnetism in Fe2O3/FeTiO3-heterostructures
Rossitza Pentcheva, Hasan Sadat Nabi
To resolve the microscopic origin of magnetism in the Fe2O3/FeTiO3-system, we have performed density functional theory calculations taking into account on-site Coulomb repulsion. B…