Magnetic manipulation and half-metal prediction of one-dimensional bimetallic organic sandwich molecular wires [CpTM1CpTM 2]∞ (TM1 = Ti, Cr, Fe; TM2 = Sc-Co)

Journal of Physical Chemistry C

Volumn 115, Issue 7, 2011, Pages 2948-2953

  Zhang, Xiuyun ^a,b   Tian, Zhi ^a   Yang, Shuo Wang ^c   Wang, Jinlan ^a  

^a SOUTHEAST UNIVERSITY   (China)

^b YANGZHOU UNIVERSITY   (China)

^c INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ANTIFERROMAGNETIC BEHAVIORS; COVALENT BONDING; ELECTRON FILLING; ELECTRONIC AND MAGNETIC PROPERTIES; HALF METALS; HALF-METALLIC FERROMAGNETS; MAGNETIC MANIPULATION; METAL ATOMS; MOLECULAR WIRES; PER UNIT; VALENCE ELECTRON;

ANTIFERROMAGNETISM; FERROMAGNETIC MATERIALS; FERROMAGNETISM; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MANGANESE; NANOWIRES; SCANDIUM; WIRE;

CHROMIUM;

EID: 79951908007     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp109253a     Document Type: Article

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