在LaMn2Si2金属间化合物中对La4f状态进行了共振光发射研究
E A Ponomareva1, D I Radzivonchik1, V I Grebennikov1
1M. N. Mikheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences, 620108, Ekaterinburg, Russia. kat9107@yandex.ru.
Physical chemistry chemical physics : PCCP
|February 28, 2025
概括
这项研究使用共振光发射光谱学揭示了LaMn2Si2的电子结构. 计算证实了La4f和Mn3d状态的存在,与实验发现相匹配.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
背景情况:
- 像LaMn2Si2这样的三元金属间化合物在材料科学中至关重要.
- 了解它们的电子结构是预测和定制它们的属性的关键.
研究的目的:
- 为了研究三元LaMn2Si2金属间化合物的电子结构.
- 阐明兰 (La) 和 (Mn) 的作用,分别为4f和3d状态.
主要方法:
- 使用了价值带共振光发射光谱学 (PES).
- 特定的光子能量值 (La 4d-4f,3d-4f,3p-5d和Mn 2p-3d) 用于共振增强.
- 使用密度函数理论 (DFT) 进行了电子结构计算.
主要成果:
- 对光发射强度的共振增强证实了La 4f状态的存在.
- 实验频谱表明3d状态的显著贡献.
- DFT的计算显示出与实验PES频谱的良好一致.
结论:
- 拉Mn2Si2的电子结构是由La 4f和Mn 3d状态的相互作用描述的.
- 共振PES和DFT的组合提供了一个强大的方法来表征这些材料.
相关概念视频
Photoluminescence: Fluorescence and Phosphorescence
1.1K
Photoluminescence is a process where a molecule absorbs light energy and re-emits it in the form of light. This phenomenon occurs when a substance absorbs photons, promoting its electrons to higher energy level excited states, followed by a relaxation process in which the electrons return to their original ground state energy levels and emit light. Photoluminescence is widely observed in various materials, including semiconductors, and organic and inorganic compounds.
A pair of electrons in a...
A pair of electrons in a...
1.1K
Atomic Spectroscopy: Absorption, Emission, and Fluorescence
733
Atomic spectroscopy is a vital tool in elemental analysis, both qualitatively and quantitatively. It can be broadly divided into optical spectroscopy, mass spectroscopy, and X-ray spectroscopy methods. The optical spectroscopic methods are atomic absorption spectroscopy (AAS), atomic emission spectroscopy (AES), and atomic fluorescence spectroscopy (AFS). The first step in all three methods is atomization, where the solid, liquid, or solution-phase samples are converted into gas-phase atoms and...
733
Photoluminescence: Applications
362
Photoluminescence offers a wide range of applications due to its inherent sensitivity and selectivity. This technique allows for both direct and indirect analyses of the analyte. Direct quantitative analysis is possible when the analyte exhibits a favorable quantum yield for fluorescence or phosphorescence. However, an indirect analysis may be feasible if the analyte is not fluorescent or phosphorescent, or if the quantum yield is unfavorable. Indirect methods include reacting the analyte with...
362
Atomic Nuclei: Magnetic Resonance
602
The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
602
Colors and Magnetism
11.5K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
11.5K
Molecular Spectroscopy: Absorption and Emission
1.4K
Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels. Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
1.4K


