Table 1 Phonon modes of CrSBr related to this work
From: Pressure-induced structural phase transitions in CrSBr
Mode | Theory | Experiment | Mode description |
|---|---|---|---|
(cm−1) | (cm−1) | ||
Infrared | |||
1B2u | 89.4 | 91.6 | In-plane shearing of Br centers against the CrS double layer |
1B3u | 162.6 | 179.8 | In-plane shearing of Br centers against the CrS double layer |
1B1u | 215.3 | 225.9 | Out-of-plane, out-of-phase stretching of Br against CrS |
2B3u | 301.3 | 312.9 | In-plane, out-of-phase stretch of Cr against S |
2B2u | 302.1 | 329.1 | In-plane, out-of-phase motion of Cr against S |
2B1u | 340.5 | 350.6 | Out-of-plane, out-of-phase stretch of Cr against S |
Raman | |||
1Ag | 125.9 | 114.1 | Out-of-plane motion of Br and Cr centers against neighbors |
2Ag | 246.1 | 244.9 | Out-of-plane motion of CrS dimers against the neighbors |
3Ag | 328.5 | 343.4 | Out-of-plane motion of a CrS layer against the other |
