Related papers: Electron Correlation in Oxygen Vacancy in SrTiO$_3…
The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…
Effects of X-ray irradiation on the electronic structure of LaAlO$_3$/SrTiO$_3$ (LAO/STO) samples, grown at low oxygen pressure and post-annealed ex-situ till recovery of their stoichiometry, were investigated by soft-X-ray ARPES. The…
Rare-earth doped form, ceria (CeO2) is of interest as a potential candidate for solid oxide fuel cells (SOFCs) because of its relatively high oxygen ion conductivity at temperatures below 600 {\deg}C. At the present time, computational…
We have studied the electronic and local magnetic structure of the hydrogen interstitial impurity at the tetrahedral site in diamond-structure Ge, using an empirical tight binding + dynamical mean field theory approach because within the…
Defect engineering has brought about a unique level of control for Si-based semiconductors, leading to the optimization of various opto-electronic properties and devices. With regard to perovskite transition metal oxides, oxygen vacancies…
Defects such as oxygen vacancy are widely considered to be critical for the performance of HfO2-based devices, and yet atomistic mechanisms underlying various exotic effects such as wake-up and fluid imprint remain elusive. Here, guided by…
We report low-temperature, high-field magnetotransport measurements of SrTiO3 gated by an ionic gel electrolyte. A saturating resistance upturn and negative magnetoresistance that signal the emergence of the Kondo effect appear for higher…
Oxygen vacancies (VO), a common type of point defects in metal oxides materials, play important roles on the physical and chemical properties. To obtain stoichiometric oxide crystal, the pre-existing VO is always removed via careful…
We study the spontaneous emission of agglomerates of two-level quantum emitters embedded in a correlated transparent metal. The characteristic emission energy corresponds to the splitting between ground and excited states of a neutral,…
We present a density-functional theory study addressing the energetics and electronic structure properties of isolated oxygen adatoms at the SrTiO3(001) surface. Together with a surface lattice oxygen atom, the adsorbate is found to form a…
Hydrostatic pressure and oxygen vacancies usually have deleterious effects on ferroelectric materials because both tend to reduce their polarization. In this work we use first-principles calculations to study an important class of…
A microscopic theory is presented for the observed electronic disorder in superconducting Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. The essential phenomenology is shown to be consistent with the existence of two types of interstitial oxygen…
Thermodynamic, structural and electronic properties of isolated copper and iron atoms as well as their complexes with oxygen vacancies in tetragonal lead titanate are investigated by means of first principles calculations. Both dopants…
Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the $3d$ series. The effect of O doping is…
TiO$_{2-\delta}$ films were deposited on (100) Lanthanum aluminates LaAlO$_{3}$ substrates at a very low oxygen chamber pressure $P\approx 0.3$ mtorr employing a pulsed laser ablation deposition technique. In previous work, it was…
XAFS studies of Ni-doped Ba$_{1-x}$Sr$_x$TiO$_3$ solid solution reveal that the Ni oxidation state changes from 4 in SrTiO$_3$ to 2.5 in BaTiO$_3$ when varying $x$. This change is accompanied by a noticeable change in the interatomic Ni-O…
The Ruddlesden-Popper (RP) series of iridates (Srn+1IrnO3n+1) have been the subject of much recent attention due to the anticipation of emergent physics arising from the cooperative action of spin-orbit (SO) driven band splitting and…
Metallic LaAlO$_3$/SrTiO$_3$ (LAO/STO) interfaces attract enormous attention, but the relationship between the electron mobility and the sheet electron density, $n_s$, is poorly understood. Here we derive a simple expression for the…
Oxide heterostructures have shown rich physics phenomena, particularly in the conjunction of exotic insulator-metal transition (IMT) at the interface between polar insulator LaAlO3 and non-polar insulator SrTiO3 (LaAlO3/SrTiO3).…
We investigated \LAO\ - \STO\ heterointerfaces grown either in oxygen rich or poor atmosphere by soft x-ray spectroscopy. Resonant photoemission across the Ti L$_{2,3}$ absorption edge of the valence band and Ti 2p core level spectroscopy…