Electronic and magnetic properties of Al adsorption on α-uranium (0 0 1) surface: Ab initio calculations

Journal of Alloys and Compounds

Volumn 476, Issue 1-2, 2009, Pages 675-682

  Nie, J L ^a   Xiao, H Y ^a   Gao, Fei ^b   Zu, X T ^a  

^a UNIVERSITY OF ELECTRONIC SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

Bader charge; Density functional theory; Density of states; Magnetic property; Uranium

Indexed keywords

AB-INITIO CALCULATIONS; AL ADSORPTIONS; BADER CHARGE; DENSITY OF STATES; DENSITY-FUNCTIONAL THEORIES; ELECTRONIC AND MAGNETIC PROPERTIES; FERROMAGNETIC PHASE; FIRST-PRINCIPLES CALCULATIONS; GENERALIZED GRADIENT APPROXIMATIONS; LOCAL MAGNETIC MOMENTS; SPIN ARRANGEMENTS; SPIN-POLARIZATION;

ACTINIDES; ADSORPTION; ALUMINA; ALUMINUM; ELECTRONIC PROPERTIES; MAGNETIC MATERIALS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; SPIN DYNAMICS; SURFACE PROPERTIES; TRANSURANIUM ELEMENTS; URANIUM;

DENSITY FUNCTIONAL THEORY;

EID: 64549154443     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2008.09.103     Document Type: Article

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