相关论文: Electron Correlation in Oxygen Vacancy in SrTiO$_3…
Complex oxide functionality, such as ferroelectricity, magnetism or superconductivity is often achieved in epitaxial thin-film geometries. Oxygen vacancies tend to be the dominant type of defect in these materials but a fundamental…
Ferromagnetism and superconductivity are in most cases adverse. However, recent experiments reveal that they coexist at interfaces of LaAlO3 and SrTiO3. We analyze the magnetic state within density functional theory and provide evidence…
It was recently discovered that a conductive, metallic state is formed on the surface of some insulating oxides. Firstly observed on SrTiO$_3$(001), it was then found in other compounds as diverse as anatase TiO$_2$, KTaO$_3$, BaTiO$_3$,…
We use density functional theory (DFT) calculations to show that oxygen vacancies ($v_\mathrm{O}$) and mobility induce noncentrosymmetric polar structures in SrTi$_{1-x-y}$Fe$_{x}$Co$_{y}$O$_{3-\delta}$ ($x=y=0.125$) with $\delta = \{0.125,…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-\delta}$ in the vacancy range $0 \leq \delta \leq 0.23$. The data provide detailed…
It is generally assumed that oxygen potential in a thin oxide electrolyte follows a linear distribution between electrodes. Jacobsen and Mogensen have shown, however, that this is not the case for thin zirconia membranes in solid oxide…
Tungsten trioxide (WO$_3$) is a paradigmatic electrochromic material, whose peculiar optical properties in the presence of oxygen vacancies or intercalated alkali atoms have been observed and investigated for a long time. In this paper we…
We report very large bandgap enhancement in SrTiO3 (STO) films (fabricated by pulsed laser deposition below 800 {\deg}C), which can be up to 20% greater than the bulk value, depending on the deposition temperature. The origin is…
Hybrid functional calculations reveal the Zn-O divacancy in ZnO, consisting of adjacent Zn and O vacancies, as an electrically active defect exhibiting charge states ranging from $2+$ to $2-$ within the band gap. Notably, the divacancy…
Pitting corrosion is a much-studied and technologically relevant subject. However, the fundamental mechanisms responsible for the breakdown of the passivating oxide layer are still subjects of debate. Chloride anions are known to accelerate…
Exchange bias stems from the interaction between different magnetic phases and therefore it generally occurs in magnetic multilayers. Here we present a large exchange bias in a single SrRuO3 layer induced by helium ion irradiation. When the…
Ferroics based on transition-metal (TM) substituted SrTiO$_{3}$ have called much attention as magnetism and/or ferroelectricity can be tuned by using cations substitution and defects, strain and/or oxygen deficiency. C. A. Ross et al.…
We analyze the valley composition of one electron bound to a shallow donor close to a Si/barrier interface as a function of an applied electric field. A full six-valley effective mass model Hamiltonian is adopted. For low fields, the…
Point defects in diamond are of high interest as candidates for realizing solid state quantum bits, bioimaging agents, or ultrasensitive electric or magnetic field sensors. Various artificial diamond synthesis methods should introduce…
The dynamics of an F--center created by an oxygen vacancy on the $\mathrm{TiO_{2}(110)}$ rutile surface has been investigated using {\it ab initio} molecular dynamics. These simulations uncover a truly complex, time-dependent behavior of…
With infrared ellipsometry we studied the response of the confined electrons in a $\gamma$-Al$_2$O$_3$/SrTiO$_3$ heterostructures in which they originate predominantly from oxygen vacancies. From the analysis of a so-called Berreman mode,…
The critical fluctuations in SrTiO$_3$ near its $105 K$ structural phase transition were studied with triple axis diffractometry using high energy ($\ge 100 keV$) synchrotron radiation in different SrTiO$_3$ crystals with different oxygen…
The understanding of the Physics underlying the performances of organic spin-valve devices is still incomplete. According to some recent models, spin transport takes place in an impurity band inside the fundamental gap of organic…
It is known that a nucleus with charge $Ze$ where $Z>170$ creates electron-positron pairs from the vacuum. These electrons collapse onto the nucleus resulting in a net charge $Z_n<Z$ while the positrons are emitted. This effect is due to…
Calcium oxide (CaO) is a promising host for quantum defects because of its ultrawide band gap and potential for long spin coherence times. Using hybrid functional calculations, we investigate the intrinsic point defects and how they limit…