GdFe2 Laves phase intermetallic system under pressure: an ab-initio study
نویسندگان
چکیده
منابع مشابه
An ab initio study on the transition paths from graphite to diamond under pressure.
We calculate and compare the transition paths from graphite to two types of diamond using the variable cell nudged elastic band method. For the phase transition from graphite to cubic diamond, we analyze in detail how the π bonds transit to the σ bonds in an electronic structure. Meanwhile, a new transition path with a lower energy barrier for the transformation from graphite to hexagonal diamo...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2019
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/1389/1/012076