Table 2 Group-subgroup pathways for CrSBr across PC,1 and the corresponding infrared- and Raman-active modes
From: Pressure-induced structural phase transitions in CrSBr
Path | Sequence across PC,1 | Γoptic | |
|---|---|---|---|
IR Active | Raman Active | ||
1 | \(Pmm{n}^{(59)}\mathop{\to }\limits^{{\rm{Down}}}Pmm{2}^{(25)}\mathop{\to }\limits^{{\rm{Up}}}\begin{array}{c}Cmm{2}^{(35)}\\ Imm{2}^{(44)}\end{array}\) | 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 | 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 |
2 | \(Pmm{n}^{(59)}\mathop{\to }\limits^{{\rm{Down}}}Pmn{2}_{1}^{(31)}\mathop{\to }\limits^{{\rm{Up}}}\begin{array}{c}Amm{2}^{(38)}\\ Imm{2}^{(44)}\end{array}\) | 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 | 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 |
3 | \(Pmm{n}^{(59)}\mathop{\to }\limits^{{\rm{Down}}}P{2}_{1}/{m}^{(11)}\mathop{\to }\limits^{{\rm{Up}}}P2/{m}^{(10)}\) | 2Au + 4Bu | 4Ag + 2Bg |
4 | \(Pmm{n}^{(59)}\mathop{\to }\limits^{{\rm{Down}}}P{2}_{1}{2}_{1}{2}^{(18)}\mathop{\to }\limits^{{\rm{Up}}}\begin{array}{c}C22{2}^{(21)}\\ I22{2}^{(23)}\end{array}\) | 2B1 + 2B2 + 2B3 2B1 + 2B2 + 2B3 | 2B1 + 2B2 + 2B3 2B1 + 2B2 + 2B3 |
5 | \(Pmm{n}^{(59)}\mathop{\to }\limits^{{\rm{Up}}}Cmm{m}^{(65)}\mathop{\to }\limits^{{\rm{Down}}}\begin{array}{c}C22{2}^{(21)}\\ Cmm{2}^{(35)}\\ Amm{2}^{(38)}\end{array}\) | 2B1 + 2B2 + 2B3 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 | 2B1 + 2B2 + 2B3 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 |
6 | \(Pmm{n}^{(59)}\mathop{\to }\limits^{{\rm{Up}}}Imm{m}^{(71)}\mathop{\to }\limits^{{\rm{Down}}}\begin{array}{c}Imm{2}^{(44)}\\ I22{2}^{(23)}\end{array}\) | 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 | 2A1 + 2B1 + 2B2 2A1 + 2B1 + 2B2 |
