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Videos de Conceptos Relacionados

Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Bonding in Metals02:32

Bonding in Metals

Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”.
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
Alkali Metals03:06

Alkali Metals

Group 1 elements are soft and shiny metallic solids. They are malleable, ductile, and good conductors of heat and electricity. The melting points of the alkali metals are unusually low for metals and decrease going down the group, while the density increases going down the group with the exception of potassium (Table 1).
Table 1: Properties of the alkali metals
Metal-Semiconductor Junctions01:24

Metal-Semiconductor Junctions

The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The semiconductor's...

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(Apenas) sólido Li(NH3)4: la electrónica de un metal expandido.

Eva Zurek1, Xiao-Dong Wen, Roald Hoffmann

  • 1Department of Chemistry, State University of New York at Buffalo, 331 Natural Sciences Complex, Buffalo, New York 14260, United States. ezurek@buffalo.edu

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Resumen

El litio ((0)) tetramina, un electrido, exhibe una estructura tetraédrica única y propiedades electrónicas. Los estudios teóricos revelan su estabilidad bajo presión y estructura de banda distinta, ofreciendo información sobre nuevos materiales.

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Área de la Ciencia:

  • Química del estado sólido.
  • Ciencia de los materiales ciencia de los materiales.
  • La física computacional es la física computacional.

Sus antecedentes:

  • El litio ((0) tetramina es un electrido formado a partir de soluciones de litio y amoníaco.
  • Su compleja estructura electrónica y sus propiedades no se comprenden completamente.
  • La cristalización ocurre a bajas temperaturas (90 K).

Objetivo del estudio:

  • Para investigar teóricamente la estructura de la Fase II, Z = 8, I43d del litio.
  • Para dilucidar la estructura electrónica y la estabilidad de este material.
  • Para explicar la estructura de la banda observada y relacionarla con las propiedades del material.

Principales métodos:

  • Estudios teóricos que emplean métodos de la física computacional.
  • Análisis de la estructura cristalina I43d y su estabilidad.
  • Examen de la estructura de la banda electrónica y las distribuciones de densidad de electrones.

Principales resultados:

  • El bloque de construcción molecular es un tetraedro casi ideal, consistente con los experimentos.
  • La estructura I43d es más estable que las configuraciones bcc y Cs-IV bajo presión.
  • Se identificaron seis bandas estrechas, cuatro ocupadas, vinculadas a bolsas de densidad de electrones entre las moléculas de amoníaco.

Conclusiones:

  • Se confirma la naturaleza del electrido y la estructura de banda única de la tetramina de litio.
  • El modelo de tipo Jortner explica la estructura de la banda considerando los pseudoátomos en los agujeros de densidad de electrones.
  • Este material es único debido a su bajo punto de fusión y distintas propiedades electrónicas.