Ab-Initio Calculated Energetics of Sigma Phase in Mo-Fe and Mo-Co Systems.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F03%3A07033080" target="_blank" >RIV/68081723:_____/03:07033080 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Ab-Initio Calculated Energetics of Sigma Phase in Mo-Fe and Mo-Co Systems.

Original language description

It is shown that first-principles electronic structure calculations may be used to estimate the energy of formation of sigma-phase in molybdenum-based systems. The calculations are performed with the help of the linear muffin-tin orbital method in the atomic sphere approximation (LMTO-ASA) and the full-potential linear augmented plane wave (FLAPW) method. The exchange-correlation energy is evaluated within the general gradient approximation (GGA).

Czech name

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Czech description

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Type

D - Article in proceedings

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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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)

Publication year

2003

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection

JUNIORMAT'03 /4./.

ISBN

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ISSN

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e-ISSN

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Number of pages

2

Pages from-to

242-243

Publisher name

Brno University of Technology, Faculty of Mechanical Engeneering

Place of publication

Brno

Event location

Brno [CZ]

Event date

Sep 23, 2003

Type of event by nationality

WRD - Celosvětová akce

UT code for WoS article

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