@article {Giovannetti2014b,
	title = {Dual nature of the ferroelectric and metallic state in LiOsO3},
	journal = {Physical review. B, Condensed matter and materials physics},
	volume = {90},
	year = {2014},
	publisher = {Published by the American Physical Society through the American Institute of Physics,},
	address = {Woodbury, NY},
	abstract = {Using density functional theory we investigate the lattice instability and electronic structure of recently discovered ferroelectric metal LiOsO3. We show that the ferroelectric-like lattice instability is related to the Li-O distortion modes while the Os-O displacements change the d-p hybridization as in common ferroelectric insulators. Within the manifold of the d orbitals, a dual behavior emerges. In the ferroelectric transition the empty e(g) orbitals change their hybridization with the oxygen p orbitals, while the t(2g) orbitals are responsible for the metallic response. Interestingly, these orbitals are nominally half filled by three electrons, a configuration which suffers from strong correlation effects even for moderate values of the screened Coulomb interaction.},
	issn = {1098-0121},
	doi = {10.1103/PhysRevB.90.195113},
	author = {Giovannetti, Gianluca and Capone, Massimo}
}
