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相关概念视频

Molecular and Ionic Solids02:54

Molecular and Ionic Solids

16.7K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
16.7K
Metallic Solids02:37

Metallic Solids

18.1K
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....
18.1K
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

40.7K
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. 
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Formal Charges02:42

Formal Charges

32.2K
In some cases, there are seemingly more than one valid Lewis structures for molecules and polyatomic ions. The concept of formal charges can be used to help predict the most appropriate Lewis structure when more than one reasonable structure exists.
32.2K
Ionic Crystal Structures02:42

Ionic Crystal Structures

14.0K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.0K
Bonding in Metals02:32

Bonding in Metals

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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”. 
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修订固体中充电缺陷的表述.

Hanzhi Shang1, Zeyu Jiang1, Yiyang Sun1

  • 1Rensselaer Polytechnic Institute, Department of Physics, Applied Physics and Astronomy, Troy, New York 12180, USA.

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概括
此摘要是机器生成的。

微电子中的精确缺陷形成能量是通过完善总能量的计算来实现的. 这项研究表明,潜在的对齐校正是不必要的,马科夫-佩恩校正为缺陷物理提供了精确的结果.

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科学领域:

  • 固态物理 固态物理
  • 材料科学 材料科学 材料科学
  • 计算材料科学科学 计算材料科学

背景情况:

  • 缺陷物理学对于理解微电子材料特性至关重要.
  • 准确计算缺陷形成能量对于预测材料行为至关重要.
  • 计算缺陷形成能量的现有方法往往需要复杂的纠正.

研究的目的:

  • 重新评估和简化对缺陷物理的总能量计算中的纠正.
  • 用线性响应理论来制定一个准确的四极校正表达式.
  • 为了证明各种缺陷的精确形成能量计算,包括异性质材料中的缺陷.

主要方法:

  • 使用总能量计算,仔细跟踪参考能量.
  • 应用线性响应理论来导出四极校正.
  • 在各种缺陷上测试方法,包括2+钻石空位.

主要成果:

  • 总能计算中的"潜在对齐"修正被证明是消失的.
  • 经典的马科夫-佩恩校正被证实产生准确的结果.
  • 制定了一个准确的表达式,用于四极校正.
  • 对于小型超级电池中的众多缺陷,获得了精确的形成能量.
  • 2+钻石空位的缓慢收归因于由缓慢变化的间隙水平引起的大小依赖的介电常数.

结论:

  • 精细的总能计算简化了缺陷物理.
  • 马科夫-佩恩校正和新的四极校正提供了准确的缺陷形成能量.
  • 了解缺陷引起的介电常数变化是具体情况下趋同的关键.