کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1525627 995358 2010 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Elastic properties and hardness calculations of lanthanide nitrides in rocksalt structure
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Elastic properties and hardness calculations of lanthanide nitrides in rocksalt structure
چکیده انگلیسی

First principles calculations were performed to study the hardness, electronic and elastic properties of lanthanide nitrides in rocksalt structure. The calculated lattice parameters are in good agreement with experimental and other theoretical values. The calculations indicate that NdN, PmN, SmN, EuN, TbN are mechanically unstable. The lower B/G and Poisson's ratio of HoN and ErN show that they are brittle than other lanthanide nitrides. Results reveal that the ligand field stabilization energy and lanthanide contraction play important roles in determining the hardness of lanthanide nitrides in rocksalt structure.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Chemistry and Physics - Volume 119, Issue 3, 15 February 2010, Pages 499–504
نویسندگان
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