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Updated: Jun 23, 2025

Atomically Defined Templates for Epitaxial Growth of Complex Oxide Thin Films
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基于AIMD和DFT计算的SrX (X = S, Se) 纳米板的稳定性和电子,声学,热和光学性能

Nzar Rauf Abdullah1, Botan Jawdat Abdullah2, Rangeen Othman Salih3

  • 1Division of Computational Nanoscience, Physics Department, College of Science, University of Sulaimani, Sulaymaniyah 46001, Kurdistan Region, Iraq. nzar.r.abdullah@gmail.com.

Physical chemistry chemical physics : PCCP
|June 26, 2024
PubMed
概括

这项研究探讨了六角硫化物 (SrS) 和化物 (SrSe) 单层. 与SrSe不同,SrS单层表现出等离子体特性,表明具有独特光学应用的潜力.

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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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