2010
DOI: 10.1016/j.jallcom.2010.03.176
|View full text |Cite
|
Sign up to set email alerts
|

Elastic properties and electronic structures of 4d- and 5d-transition metal mononitrides

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1
1

Citation Types

7
47
0

Year Published

2010
2010
2020
2020

Publication Types

Select...
9
1

Relationship

0
10

Authors

Journals

citations
Cited by 109 publications
(54 citation statements)
references
References 44 publications
7
47
0
Order By: Relevance
“…Moreover, owing to charge transfers from the metal atoms to the nitrogen atoms, an increased ionicity of the chemical bonding is observed in nitrides. These tendencies are confirmed in a recent paper [4]. The calculations of the electronic structure of 4d transition metal mononitrides of NaCl or ZnS-structure types have shown that all mononitrides are metallic.…”
Section: Introductionsupporting
confidence: 65%
“…Moreover, owing to charge transfers from the metal atoms to the nitrogen atoms, an increased ionicity of the chemical bonding is observed in nitrides. These tendencies are confirmed in a recent paper [4]. The calculations of the electronic structure of 4d transition metal mononitrides of NaCl or ZnS-structure types have shown that all mononitrides are metallic.…”
Section: Introductionsupporting
confidence: 65%
“…Theoretical calculations for the ZrN and HfN material systems show that rock salt is the energetically more stable and thus preferred phase assuming exact stoichiometry [25]. These theoretical calculations are reflected in our findings since zinc blende grains appear only sparsely within the superlattice.…”
Section: Phase Analysissupporting
confidence: 71%
“…Our results fit the observations that MoN is mechanically unstable in the vacancy-free structures based on zincblende-ZnS, NaCl, or CsCl. 18,39,40 This low-energy cubic crystal structure for 1:1 stoichiometry, i.e., the NbO-type, is still by about 0.05 eV/at less favorable than the vacancy-free NiAs-based Based on our results that the ordering of N-vacancies within the cubic c-MoN x -based structure is energetically preferred for x between 0.6 and 0.7 (hence, E f is more negative for c 0 -MoN x than for c-MoN x , Fig. 1), we studied additional structures based on the M 3 X 2 -type (i.e., MoN 0.67 ) as given in Ref.…”
Section: A Computational Resultsmentioning
confidence: 99%