First-principles calculations for titanium monoxide clusters Ti nO (n1-9)

Chinese Physics B

Volumn 17, Issue 9, 2008, Pages 3336-3342

  Lu, Zhang Hui ^a   Cao, Jue Xian ^a  

^a XIANGTAN UNIVERSITY   (China)

Author keywords

Density functional theory; Magnetic moment; Stability; TinO clusters

Indexed keywords

ATOMIC PHYSICS; ATOMS; BINDING ENERGY; MAGNETIC MATERIALS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETISM; MASS SPECTROMETRY; OXYGEN; TITANIUM;

3D ELECTRONS; CHARGE PARTITIONS; DENSITY OF STATES; ENERGY DIFFERENCES; FIRST-PRINCIPLES CALCULATIONS; FUNCTIONAL THEORIES; LOCAL MAGNETIC MOMENTS; OXYGEN ATOMS; TI ATOMS; TINO CLUSTERS; TIME OF FLIGHTS; TITANIUM MONOXIDES;

DENSITY FUNCTIONAL THEORY;

EID: 56349125287     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/17/9/032     Document Type: Article

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