Partial vibrational density of states for amorphous solids from inelastic neutron scattering

被引:4
|
作者
Whittaker, Dean A. J. [1 ]
Giacomazzi, Luigi [2 ,3 ]
Adroja, Devashibhai [4 ,5 ]
Bennington, Stephen M. [4 ]
Pasquarello, Alfredo [2 ]
Salmon, Philip S. [1 ]
机构
[1] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England
[2] Ecole Polytech Fed Lausanne, Chaire Simulat Echelle Atom, CH-1015 Lausanne, Switzerland
[3] Univ Nova Gorica, Mat Res Lab, Vipavska 11c, Ajdovscina 5270, Slovenia
[4] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England
[5] Univ Johannesburg, Phys Dept, Highly Correlated Matter Res Grp, POB 524, ZA-2006 Auckland Pk, South Africa
基金
英国工程与自然科学研究理事会;
关键词
INITIO MOLECULAR-DYNAMICS; GLASS-FORMING LIQUIDS; CHALCOGENIDE GLASSES; VITREOUS SILICA; RANGE ORDER; GESE2; MOLTEN; RAMAN; GE;
D O I
10.1103/PhysRevB.98.064205
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We introduce coherent inelastic neutron scattering with isotope substitution as a technique for measuring site-specific information on the vibrational dynamics of amorphous solids. The technique is used to extract experimentally the partial vibrational density of states G(alpha) (E) for both Ge and Se in the prototypical network-forming glass GeSe2, where alpha specifies the chemical species and E denotes the energy. The efficacy of the approximations used in interpreting the experimental data is validated by using a first-principles model, for which the set of true partial vibrational density of states is directly accessible. Our approach offers an opportunity for exploring accurately the vibrational dynamics of disordered materials.
引用
收藏
页数:10
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