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相关概念视频

Energy Bands in Solids01:01

Energy Bands in Solids

1.8K
Isolated atoms have discrete energy levels that are well described by the Bohr model. And, it quantifies the energy of an electron in a hydrogen atom as En. Higher quantum numbers 'n' yield less negative, closer electron energy levels.
 Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states...
1.8K
Band Theory02:35

Band Theory

17.0K
When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
17.0K
Semiconductors01:22

Semiconductors

1.4K
There is variation in the electrical conductivity of materials - metals, semiconductors, and insulators that are showcased with the help of the energy band diagrams.
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...
1.4K
Network Covalent Solids02:18

Network Covalent Solids

16.0K
Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
16.0K
Structures of Solids02:22

Structures of Solids

17.4K
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...
17.4K
Valence Bond Theory02:42

Valence Bond Theory

11.2K
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...
11.2K

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相关实验视频

Updated: Jan 12, 2026

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon
06:57

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Published on: July 17, 2020

2.6K

带结构从减少密度矩阵功能理论:应用到Si和钻石.

Marinela Irimia1, Yu Wang2, Yifan Fei3

  • 1International School, Huzhou University, Huzhou, Zhejiang 313000, China.

Journal of chemical theory and computation
|November 5, 2025
PubMed
概括

这项研究引入了电子带结构的新密度矩阵功能理论. 该方法使用费米-迪拉克分布准确地预测了和钻石等材料的带间隙.

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All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

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相关实验视频

Last Updated: Jan 12, 2026

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon
06:57

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Published on: July 17, 2020

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All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

10.2K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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科学领域:

  • 凝聚物质物理学 凝聚物质物理学
  • 量子化学 是一个量子化学.
  • 材料科学 材料科学 材料科学

背景情况:

  • 精确计算电子带结构对于理解材料特性至关重要.
  • 传统的密度函数理论 (DFT) 方法在准确描述带间隙方面面临着挑战.
  • 减少密度矩阵函数理论为电子结构计算提供了一种替代方法.

研究的目的:

  • 开发和应用一个减少密度矩阵函数理论,结合一个的函数用于相关性.
  • 研究得到的波段结构的数学结构及其与费米-迪拉克分布的关系.
  • 为了证明该方法在计算半导体如和钻石的带间隙方面的能力.

主要方法:

  • 利用了减少密度矩阵函数理论与电子相关性的一种新型热函数.
  • 使用费米-迪拉克分布来描述带中的电子占用数.
  • 使用Xα模型对和钻石进行计算的近似交换能量.

主要成果:

  • 开发的理论给出了带结构的简单数学结构,直接遵循费米 - 迪拉克分布.
  • 该方法成功地适应了基于最低导电和最高价值带的占用数的带间隙.
  • 对和钻石的计算证明了该方法的实际适用性和准确性.

结论:

  • 减少密度矩阵函数理论与相关函数提供了一个强大的框架,用于电子带结构计算.
  • 该方法遵循费米 - 迪拉克分布,简化了对带间隙的理解和预测.
  • 这种方法为凝聚物质物理学和化学中准确的材料性质预测提供了有希望的途径.