Structural Stability of Complex Hydrides:LiBH4Revisited
نویسندگان
چکیده
منابع مشابه
Structural stability of complex hydrides: LiBH4 revisited.
A systematic approach to study the phase stability of LiBH4 based on ab initio calculations is presented. Three thermodynamically stable phases are identified and a new phase of Cc symmetry is proposed for the first time for a complex hydride. The x-ray diffraction pattern and vibrational spectra of the Cc structure agree well with recently reported experimental data on LiBH4. Calculations of t...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2004
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.93.145501