The Electronic Structure of MgY<SUB>2</SUB>H<SUB>6+δ</SUB> High-Pressure Hydride
نویسندگان
چکیده
منابع مشابه
The Electronic Structure of MgY2H6þ High-Pressure Hydride
The electronic structure of the MgY2H6þ high-pressure hydride has been investigated by means of the full potential linearized augmented plane wave method, and the stability of the octahedral and tetrahedral sites for H atoms has been discussed. The calculation models used were MgY3H8{12, corresponding to H/M = 2–3. From the calculation of the density of states for MgY3H11, it was found that the...
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ژورنال
عنوان ژورنال: MATERIALS TRANSACTIONS
سال: 2003
ISSN: 1345-9678,1347-5320
DOI: 10.2320/matertrans.44.583