Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F03%3A07033148" target="_blank" >RIV/68081723:_____/03:07033148 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
Ab initio study of ideal tensile strength and mechanical stability of transition-metal disilicides.
Original language description
The ideal tensile test in transition metal disilicides MoSi2 and WSi2 with C11b structure is simulated by ab initio electronic structure calculations using the full-potential linearized augmented plane wave method (FLAPW). The theoretical tensile strength for [001] loading is determined for both disilicides and compared with that of other materials. Full relaxation of all external and one internal structural parameter is performed and influence of each relaxation process on energetics and strength of materials studied is investigated. Differences in behaviour of various interatomic bonds including tension-compression asymmetry are analysed and their origin in connection with the changes of the internal structural parameter is traced.For comparison, theresponse of bonds in MoSi and CoSi with B2 structure to the [001] loading is also studied.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
—
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review B. Condensed Matter and Materials Physics
ISSN
0163-1829
e-ISSN
—
Volume of the periodical
68
Issue of the periodical within the volume
18
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
—
UT code for WoS article
—
EID of the result in the Scopus database
—