Electronic structure, mechanical properties and thermal conductivity of Ln2Zr2O7 (Ln = La, Pr, Nd, Sm, Eu and Gd) pyrochlore

Acta Materialia

Volumn 59, Issue 4, 2011, Pages 1742-1760

  Feng, J ^a,b   Xiao, B ^c   Wan, C L ^a   Qu, Z X ^a   Huang, Z C ^a   Chen, J C ^b   Zhou, R ^b   Pan, W ^a  

^a TSINGHUA UNIVERSITY   (China)

^b KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c Tulane University   (United States)

Author keywords

Ceramics; Coating; Elastic behaviors; Electronic structure; First principles electron theory

Indexed keywords

ANISOTROPIC PROPERTY; BULK MODULUS; CERAMICS; CHEMICAL BONDINGS; DENSITY OF STATE; ELASTIC BEHAVIOR; FERROMAGNETIC STATE; FIRST-PRINCIPLES ELECTRON THEORY; HIGH TEMPERATURE; HUBBARD ENERGY; POISSON'S RATIO; PYROCHLORES; SHEAR MODULUS; SOUND VELOCITIES; SPIN-POLARIZED; THEORETICAL VALUES; WIDE BAND GAP INSULATOR; YOUNG'S MODULUS;

ANISOTROPY; BOND STRENGTH (CHEMICAL); CERAMIC MATERIALS; COATINGS; CONDUCTIVE MATERIALS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EUROPIUM; EXPERIMENTS; GADOLINIUM; LANTHANUM; MAGNETIC MOMENTS; MECHANICAL PROPERTIES; NEODYMIUM; POISSON RATIO; SPIN POLARIZATION; THERMAL CONDUCTIVITY; YTTRIA STABILIZED ZIRCONIA; ZIRCONIA;

ZIRCONIUM;

EID: 78651383670     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2010.11.041     Document Type: Article

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