Is a Non-Transition Element Nitride Ferromagnet Ever Achievable? Indication of the N-N Pairing Instability

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Title:Is a Non-Transition Element Nitride Ferromagnet Ever Achievable? Indication of the N-N Pairing Instability
Creators:
Grochala, Wojciech
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 71, 11-12, pp. 1525-1531
Uncontrolled Keywords:Ferromagnetism, Main group elements, Density functional calculations, Nitrides

Abstract

The enthalpy of four polymorphs of CaN has been scrutinized at 0 and 100 GPa using density functional theory calculations. It is shown that structures of diamagnetic calcium diazenide (Ca<sub>2</sub>N<sub>2</sub>) are preferred over the cubic ferromagnetic polymorph (CaN) postulated before, both at 0 and 100 GPa. <p>

Title:Is a Non-Transition Element Nitride Ferromagnet Ever Achievable? Indication of the N-N Pairing Instability
Creators:
Grochala, Wojciech
Uncontrolled Keywords:Ferromagnetism, Main group elements, Density functional calculations, Nitrides
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:71
Number:11-12
Page Range:pp. 1525-1531
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20061525UNSPECIFIED
ID Code:2559
Item Type:Article
Deposited On:06 Feb 2009 17:19
Last Modified:06 Feb 2009 16:19

Citation

Grochala, Wojciech (2006) Is a Non-Transition Element Nitride Ferromagnet Ever Achievable? Indication of the N-N Pairing Instability. Collection of Czechoslovak Chemical Communications, 71 (11-12). pp. 1525-1531. ISSN 0010-0765

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