Neutron vibrational spectroscopy and first-principles calculations of the ternary hydridesLi4Si2H(D)andLi4Ge2H(D): Electronic structure and lattice dynamics
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چکیده
منابع مشابه
Neutron Vibrational Spectroscopy and First-Principles Calculations of the Ternary Hydrides Li4Si2H(D) and Li4Ge2H(D): Electronic Structure and Lattice Dynamics
Using combined neutron spectroscopy and first-principles calculations, we investigated the electronic structure and vibrational dynamics of the recently discovered class of ternary hydrides Li4Tt2H (Tt=Si and Ge). In these compounds, all hydrogen atoms are located in a single type of Li6-defined octahedral site. The Tt atoms form long-range Tt-Tt chains sandwiched between each Li6-octahedra lay...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2007
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.76.224301