Ab initio investigation of optical properties of high-pressure phases of ice

Simple item page
dc.creatorXu, Renjun
dc.creatorLiu, Zhiming
dc.creatorMa, Yanming
dc.creatorCui, Tian
dc.creatorLiu, Bingbing
dc.creatorZou, Guangtian
dc.date2007-12-31
dc.date.accessioned2026-07-07T08:52:00Z
dc.date.available2026-07-07T08:52:00Z
dc.descriptionWe report a detailed ab initio investigation on the optical properties of ice under a wide high pressure range. The ice X phase (up to 380GPa), the theoretical proposed higher pressure phase ice XV (300GPa), as well as the ambient pressure low-temperature phase ice XI are involved. Our results show that the dispersion relations of optical properties of ice under high pressure are quite different from those under ambient pressure. Under higher pressure, there is whole tendency of blue shift in all optical properties of ice, and the energy region for optical response become broader, such as the absorption band and reflection band. In addition to the augmented absorption edge, all absorption peaks are found to be rising, and the reflection peaks are also enhanced a bit; hence the transmissivity of ice is inferred to be dropping. The photoconductivity is enhanced, and we explain this behavior from the increase of earner density. The static optical properties are found to be pressure independent, and principally due to the network topology of hydrogen bonding.
dc.description30 pages, 10 figures
dc.identifierhttps://arxiv.org/abs/0801.0187
dc.identifierhttp://arxiv.org/abs/0801.0187
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/145132
dc.subjectMaterials Science
dc.titleAb initio investigation of optical properties of high-pressure phases of ice
dc.typetext

Files

Collections

arXiv