Oxygen disorder in ice probed by x-ray Compton scattering

被引：13

作者：

Bellin, Ch ^{[1
]}

Barbiellini, B. ^{[2
]}

Klotz, S. ^{[1
]}

Buslaps, T. ^{[3
]}

Rousse, G. ^{[1
]}

Straessle, Th ^{[4
]}

Shukla, A. ^{[1
]}

机构：

[1] Univ UPMC, Inst Mineral & Phys Matiere Condensee, CNRS, UMR 7590, F-75252 Paris 05, France

[2] Northeastern Univ, Dept Phys, Boston, MA 02115 USA

[3] European Synchrotron Radiat Facil, F-38043 Grenoble, France

[4] Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland

来源：

PHYSICAL REVIEW B | 2011年 / 83卷 / 09期

关键词：

NEUTRON POWDER DIFFRACTION; HYDROGEN-BOND; VII; PRESSURE; GPA;

D O I：

10.1103/PhysRevB.83.094117

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We use electron momentum density in ice as a tool to quantify order-disorder transitions by comparing Compton profiles differences of ice VI, VII, VIII, and XII with respect to ice Ih. Quantitative agreement is found between theory and experiment for ice VIII, which is the fully hydrogen ordered phase. Robust signatures of the oxygen disorder are identified in the momentum density for the VIII-VII ice phase transition. The unique aspect of this work is the determination of the fraction ne of electron directly involved in phase transitions as well as the use of position space signatures for quantifying oxygen site disorder.

引用

页数：5

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