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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Structures of Solids02:22

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
Colors and Magnetism03:02

Colors and Magnetism

Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
Coordination Number and Geometry02:57

Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
Atomic Nuclei: Nuclear Magnetic Moment00:59

Atomic Nuclei: Nuclear Magnetic Moment

All atomic nuclei are positively charged. When they have a nonzero spin, they behave like rotating charges. As a consequence of their charge and spin, these nuclei generate a magnetic field (B). This, in turn, gives rise to a magnetic moment (μ), which is randomly oriented in the absence of an external magnetic field. When an external magnetic field (B0) is applied, the magnetic moment vectors can align with the field or against it in 2 + 1 orientations. A hydrogen nucleus, which is just a...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...

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Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
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Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

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BaTiO3(001)-(2×1): surface structure and spin density.

H L Meyerheim1, A Ernst, K Mohseni

  • 1Max-Planck-Institut für Mikrostrukturphysik, Halle, Germany. hmeyerhm@mpi-halle.mpg.de

Physical Review Letters
|September 26, 2012
PubMed
Summary
This summary is machine-generated.

We reveal a novel BaTiO3(001)-(2×1) surface structure. This unique geometry results in a metallic and magnetic surface, crucial for understanding oxide surface properties.

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Radio Frequency Magnetron Sputtering of GdBa2Cu3O7−δ/ La0.67Sr0.33MnO3 Quasi-bilayer Films on SrTiO3 (STO) Single-crystal Substrates
06:49

Radio Frequency Magnetron Sputtering of GdBa2Cu3O7−δ/ La0.67Sr0.33MnO3 Quasi-bilayer Films on SrTiO3 (STO) Single-crystal Substrates

Published on: April 12, 2019

Area of Science:

  • Materials Science
  • Surface Science
  • Solid State Physics

Background:

  • Barium titanate (BaTiO3) is a well-known ferroelectric material.
  • Understanding the surface structure of BaTiO3 is crucial for its applications.
  • The BaTiO3(001)-(2×1) surface has not been previously characterized.

Purpose of the Study:

  • To determine the atomic structure of the BaTiO3(001)-(2×1) surface.
  • To investigate the electronic and magnetic properties of this surface.
  • To elucidate the origins of intrinsic surface metallicity in insulating oxides.

Main Methods:

  • Surface X-ray Diffraction (SXRD) was employed to probe the surface structure.
  • Ab initio calculations were used to model the surface and its properties.
  • Density Functional Theory (DFT) was likely used for ab initio calculations.

Main Results:

  • A novel BaTiO3(001)-(2×1) surface structure model was established.
  • One out of two surface Ti atoms exhibits a tetragonal pyramidal oxygen coordination.
  • This leads to a metallic surface with local magnetic moments up to 2μ(B) at Ti and O atoms.

Conclusions:

  • The identified surface structure explains the observed metallicity.
  • The findings contribute to the understanding of intrinsic surface metallicity in insulating oxides.
  • This research opens new avenues for designing oxide surfaces with specific electronic and magnetic functionalities.