Optical properties of some laves phases compounds

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12640%2F09%3A00010039" target="_blank" >RIV/60076658:12640/09:00010039 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67179843:_____/09:00342931

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Optical properties of some laves phases compounds

Popis výsledku v původním jazyce

The optical properties for laves phase compounds have been calculated within the farm work of the full-potential linearized-augmented plane wave. The generalized gradient approximation (GGA) and the Engel-Vosko-generalized gradient approximation (EV-GGA)were used. Our calculations show that these compounds are metallic with more bands cuts the Fermi energy (E-F) as we moving from Nb to Ta, Hf, Ti, in a consistent with the increasing the values of the density of states at Fermi level N(E-F). The opticalproperties were calculated with and without Drude term, we analyzed the imaginary part of the optical properties using our calculated electronic band structure. The ground state properties of these compounds such as equilibrium lattice constant, bulk modulus are calculated and compared with available literature.

Název v anglickém jazyce

Optical properties of some laves phases compounds

Popis výsledku anglicky

The optical properties for laves phase compounds have been calculated within the farm work of the full-potential linearized-augmented plane wave. The generalized gradient approximation (GGA) and the Engel-Vosko-generalized gradient approximation (EV-GGA)were used. Our calculations show that these compounds are metallic with more bands cuts the Fermi energy (E-F) as we moving from Nb to Ta, Hf, Ti, in a consistent with the increasing the values of the density of states at Fermi level N(E-F). The opticalproperties were calculated with and without Drude term, we analyzed the imaginary part of the optical properties using our calculated electronic band structure. The ground state properties of these compounds such as equilibrium lattice constant, bulk modulus are calculated and compared with available literature.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2009

Kód důvěrnosti údajů

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

Název periodika

Current Opinion in Solid State & Materials Science

ISSN

1359-0286

e-ISSN

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Svazek periodika

12

Číslo periodika v rámci svazku

3-4

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

5

Strana od-do

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Kód UT WoS článku

000267393600001

EID výsledku v databázi Scopus

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