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Elastic properties of TiB2 and MgB2

Abstract:

We study the elastic properties, electronic structure and equation of state of titanium diboride and magnesium diboride using a first-principles pseudopotential method. We show that the results of the calculations carried out using the gradient-corrected approximation of the density-functional theory are in excellent agreement with the most recent experimental data. These results confirm that early reports of anomalously high elastic anisotropy of TiB2 were based on erroneous experimental dat...

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Publication status:
Published

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Publisher copy:
10.1088/0953-8984/13/24/304

Authors


Warren, MC More by this author
Journal:
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume:
13
Issue:
24
Pages:
5585-5595
Publication date:
2001-06-18
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:444c7050-9e82-4f23-ad18-5c6d39048c1a
Source identifiers:
211455
Local pid:
pubs:211455
Language:
English

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