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Origin of the mid-infrared peaks in the optical conductivity of LaMnO3
Solid State Communications ( IF 2.1 ) Pub Date : 2021-05-28 , DOI: 10.1016/j.ssc.2021.114381
Purevdorj Munkhbaatar , Kim Myung-Whun

We calculated the infrared conductivity spectrum of orbitally ordered LaMnO3 in phonon frequency and overtone frequency ranges. We considered orbital exchange, Jahn-Teller electron–phonon coupling, and phonon–phonon coupling. The fundamental excitation of the phonon-coupled orbiton was only Raman active, not infrared active, while its overtone modes were both Raman and infrared active. Our calculations reproduced the small peaks near 1300 cm−1 observed both in Raman scattering and infrared conductivity spectra, as consistent with previous experimental results.



中文翻译:

LaMnO 3光导率中红外峰的起源

我们计算了轨道有序的 LaMnO 的红外电导率谱3在声子频率和泛音频率范围内。我们考虑了轨道交换、Jahn-Teller 电子-声子耦合和声子-声子耦合。声子耦合轨道的基本激发只有拉曼活性,而不是红外活性,而其泛音模式同时是拉曼和红外活性。我们的计算再现了在拉曼散射和红外电导率光谱中观察到的1300 cm -1附近的小峰,这与之前的实验结果一致。

更新日期:2021-06-01
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