Title :
The Coulomb interaction and volume compress effect on spin and orbital moment of NiO
Author :
Thassana, Chewa ; Techitdheera, Wicharn
Author_Institution :
Dept. of Appl. Phys., King Mongkut´´s Inst. of Technol. Ladkrabang, Bangkok, Thailand
Abstract :
The Couloumb interaction U and volume compress (VC) effect on the spin and orbital moment of NiO at temperature 523 K have been calculated using the linear muffin-tin orbital (LMTO) method. The results show the lattice constant decrease from 4.19 to 2.45 A¿ with increasing of volume compress from 0 to 80%. When the VC fixed, the both spin and orbital moment of Ni2+ ion gradually increase to 1.87 ¿B and 0.17 ¿B, respectively with increasing of Coulomb interaction U from 0 eV to 10.0 eV. On other hand, when U fixed and VC is varied from 0% to 80%, the spin moment slightly decrease and then rapidly decrease to 0 ¿B, while the orbital moment dramatically decrease to 0 ¿B.
Keywords :
lattice constants; linear muffin-tin orbital method; magnetic moments; nickel compounds; strongly correlated electron systems; Coulomb interaction; LMTO; NiO; lattice constant; linear muffin-tin orbital method; orbital moment; spin moment; strong electronic correlation; temperature 523 K; volume compress effect; Antiferromagnetic materials; Density functional theory; Lattices; Magnetic moments; Magnetic properties; Metal-insulator structures; Orbital calculations; Stationary state; Temperature; Virtual colonoscopy;
Conference_Titel :
Nanoelectronics Conference (INEC), 2010 3rd International
Conference_Location :
Hong Kong
Print_ISBN :
978-1-4244-3543-2
Electronic_ISBN :
978-1-4244-3544-9
DOI :
10.1109/INEC.2010.5425146
