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.
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U2 - 10.1016/S0925-8388(01)01176-8
DO - 10.1016/S0925-8388(01)01176-8
M3 - Article
AN - SCOPUS:0035963521
SN - 0925-8388
VL - 322
SP - 7
EP - 13
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
IS - 1-2
ER -