期刊
PHYSICAL REVIEW B
卷 92, 期 9, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.92.094108
关键词
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资金
- Chinese Scholarship Council (CSC) [2011610027]
- EPSRC [EP/G070539/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/G070539/1] Funding Source: researchfish
Stacking graphene sheets forms graphite. Two in-plane vibrational modes of graphite, E-1u and E-2g((2)), are derived from the graphene E-2g mode, the shifts of which under compression are considered as results of the in-plane bond shortening. Values of the Gruneisen parameter have been reported to quantify such a relation. However, the reason why the shift rates of these three modes with pressure differ is unclear. In this work, we introduce new parameters gamma'(E2g) = -0.0131 and gamma'(E1u) = 0.0585 to quantify the contribution of out-of-plane strain to the shift of the in-plane vibrational frequencies, suggesting that the compression of the pi- electrons plays a non-negligible part in both graphite and graphene under high pressure.
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