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Updated: Jul 1, 2025

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内置和空置化6H-SiC的电子结构和光学特性:一项第一原则研究

Xin Wang1, Xin Yuan1, Huan Zhou1

  • 1School of Chemical Equipment, Shenyang University of Technology, Liaoyang, Liaoning Province, 111003, China.

Journal of molecular modeling
|March 2, 2024
PubMed
概括

6H-碳化 (SiC) 的和空位注增强了其光学性能. 这项研究为通过改进材料特性来开发先进的光学和自旋电子设备提供了基础.

关键词:
电子结构 电子结构第一个原则.光学属性 光学属性碳化是的碳化物之一.

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Electron Configurations02:46

Electron Configurations

Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p,...
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