U ternaries with ZrNiAl structure - Lattice properties

L. Havela; M. Diviš; V. Sechovský; A. V. Andreev; F. Honda; G. Oomi; Y. Méresse; S. Heathman

doi:10.1016/S0925-8388(01)01176-8

U ternaries with ZrNiAl structure - Lattice properties

L. Havela, M. Diviš, V. Sechovský, A. V. Andreev, F. Honda, G. Oomi, Y. Méresse, S. Heathman

Research output: Contribution to journal › Article › peer-review

40 Citations (Scopus)

Abstract

The bonding properties of UTX compounds having the hexagonal ZrNiAl-type structure display a pronounced anisotropy. The compressibility and thermal expansion reach values several times higher for the basal plane than along the c-axis. This situation also occurs for the Th-containing counterparts, whereas it is absent in isostructural materials based on rare earths. This phenomenon can be attributed to the participation of the delocalized 5f states in the bonding, leading to compression of the 5f charge towards the basal plane. This scenario has been investigated theoretically by ab-initio band structure calculations performed for URhAl.

Original language	English
Pages (from-to)	7-13
Number of pages	7
Journal	Journal of Alloys and Compounds
Volume	322
Issue number	1-2
DOIs	https://doi.org/10.1016/S0925-8388(01)01176-8
Publication status	Published - 2001 Jun 28
Externally published	Yes

Keywords

Actinide compounds
Electronic band structure
High pressure
Thermal expansion
Transition metal compounds

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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title = "U ternaries with ZrNiAl structure - Lattice properties",

abstract = "The bonding properties of UTX compounds having the hexagonal ZrNiAl-type structure display a pronounced anisotropy. The compressibility and thermal expansion reach values several times higher for the basal plane than along the c-axis. This situation also occurs for the Th-containing counterparts, whereas it is absent in isostructural materials based on rare earths. This phenomenon can be attributed to the participation of the delocalized 5f states in the bonding, leading to compression of the 5f charge towards the basal plane. This scenario has been investigated theoretically by ab-initio band structure calculations performed for URhAl.",

keywords = "Actinide compounds, Electronic band structure, High pressure, Thermal expansion, Transition metal compounds",

author = "L. Havela and M. Divi{\v s} and V. Sechovsk{\'y} and Andreev, {A. V.} and F. Honda and G. Oomi and Y. M{\'e}resse and S. Heathman",

note = "Funding Information: This work was supported by the Grant Agency of the Czech Republic (under grant Nos. 106/98/0507 and 202/99/0184) and by the Grant Agency of Charles University (under grant Nos. 61/1998 and 145/2000). L.H. is grateful to the Japanese Society for the Promotion of Science during his stay in Japan. Y.M. thanks the European Commission for support given in the frame of the program {\textquoteleft}Human Capital and Mobility{\textquoteright}. ",

year = "2001",

month = jun,

day = "28",

doi = "10.1016/S0925-8388(01)01176-8",

language = "English",

volume = "322",

pages = "7--13",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier BV",

number = "1-2",

}

TY - JOUR

T1 - U ternaries with ZrNiAl structure - Lattice properties

AU - Havela, L.

AU - Diviš, M.

AU - Sechovský, V.

AU - Andreev, A. V.

AU - Honda, F.

AU - Oomi, G.

AU - Méresse, Y.

AU - Heathman, S.

N1 - Funding Information: This work was supported by the Grant Agency of the Czech Republic (under grant Nos. 106/98/0507 and 202/99/0184) and by the Grant Agency of Charles University (under grant Nos. 61/1998 and 145/2000). L.H. is grateful to the Japanese Society for the Promotion of Science during his stay in Japan. Y.M. thanks the European Commission for support given in the frame of the program ‘Human Capital and Mobility’.

PY - 2001/6/28

Y1 - 2001/6/28

N2 - The bonding properties of UTX compounds having the hexagonal ZrNiAl-type structure display a pronounced anisotropy. The compressibility and thermal expansion reach values several times higher for the basal plane than along the c-axis. This situation also occurs for the Th-containing counterparts, whereas it is absent in isostructural materials based on rare earths. This phenomenon can be attributed to the participation of the delocalized 5f states in the bonding, leading to compression of the 5f charge towards the basal plane. This scenario has been investigated theoretically by ab-initio band structure calculations performed for URhAl.

AB - The bonding properties of UTX compounds having the hexagonal ZrNiAl-type structure display a pronounced anisotropy. The compressibility and thermal expansion reach values several times higher for the basal plane than along the c-axis. This situation also occurs for the Th-containing counterparts, whereas it is absent in isostructural materials based on rare earths. This phenomenon can be attributed to the participation of the delocalized 5f states in the bonding, leading to compression of the 5f charge towards the basal plane. This scenario has been investigated theoretically by ab-initio band structure calculations performed for URhAl.

KW - Actinide compounds

KW - Electronic band structure

KW - High pressure

KW - Thermal expansion

KW - Transition metal compounds

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EP - 13

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JF - Journal of Alloys and Compounds

SN - 0925-8388

IS - 1-2

ER -

U ternaries with ZrNiAl structure - Lattice properties

Abstract

Keywords

ASJC Scopus subject areas

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