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Atomic Structure01:33

Atomic Structure

All matter is composed of atoms, the smallest individual units of elements. Each atom is made up of three subatomic particles: protons, neutrons, and electrons. Together, these three particles account for the mass and the charge of an atom.The History of Atomic TheoryThe first person to propose that everything on Earth is made up of tiny particles was the Greek philosopher Democritus, around 450 B.C. He used the term atomos, Greek for “indivisible,” from which the modern term “atom” is derived.
Atomic Radii and Effective Nuclear Charge03:08

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The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
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...
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis. This...
Atomic Structure01:17

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The Greek philosopher Democritus proposed that everything on Earth is made up of tiny particles called atomos, Greek for "indivisible," from which the modern term "atom" is derived. In the 19th century, John Dalton proposed the atomic theory that is still largely correct today. He put forth five postulates to explain how atoms made up the world around us. (1) All matter is composed of infinitely small particles or atoms. (2) All atoms of a given element are identical to one another and (3) are...
Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

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Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...

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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
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Published on: November 12, 2013

Propiedades anómalas en ferroeléctricos inducidas por el ordenamiento atómico.

A M George1, J Iñiguez, L Bellaiche

  • 1Physics Department, University of Arkansas, Fayetteville 72701, USA.

Nature
|September 7, 2001
PubMed
Resumen

Las aleaciones complejas de perovskita exhiben propiedades dieléctricas y piezoeléctricas significativas. Los cálculos ab initio revelan reordenamientos atómicos que conducen a respuestas electromecánicas mejoradas y nuevas fases estructurales en estos materiales funcionales.

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Área de la Ciencia:

  • Ciencia de los materiales Ciencia de los materiales.
  • Física del estado sólido Física del estado sólido
  • Materiales computacionales Ciencia de la ciencia.

Sus antecedentes:

  • Las aleaciones aislantes complejas de perovskita poseen propiedades dieléctricas y piezoeléctricas significativas.
  • Los materiales como (Ba1-xSrx) TiO3 y el titanato de zirconato de plomo (PZT) son cruciales en los dispositivos electrónicos.
  • Comprender el vínculo entre la estructura microscópica y las propiedades anómalas es un desafío.

Objetivo del estudio:

  • Para investigar los reordenamientos atómicos en las aleaciones de perovskita.
  • Explorar el potencial de nuevos materiales funcionales con propiedades electromecánicas mejoradas.
  • Para identificar los mecanismos microscópicos detrás de las propiedades anómalas.

Principales métodos:

  • Utilizando cálculos desde el principio.
  • Simulación de reordenamientos atómicos dentro de las estructuras de aleación de perovskita.
  • Analizando las respuestas electromecánicas resultantes y las fases estructurales.

Principales resultados:

  • Se identificaron reordenamientos atómicos específicos que inducen grandes respuestas electromecánicas.
  • Descubrió fases estructurales inusuales resultantes de estos reordenamientos.
  • Elucidado los mecanismos microscópicos responsables de estas anomalías.

Conclusiones:

  • Ciertos reordenamientos atómicos pueden mejorar simultáneamente las propiedades electromecánicas y crear nuevas fases estructurales en aleaciones de perovskita.
  • Esta investigación ofrece una vía para el desarrollo de materiales funcionales avanzados.
  • Los hallazgos proporcionan información fundamental sobre las relaciones estructura-propiedad en las perovskitas.