Quantum Chemistry, Magnetism and Lasers

作者: Georgios Lefkidis

DOI:

关键词:

摘要: Using highly correlational quantum chemistry we compute from first principles the contributions of electric dipoles and quadupoles, magnetic to nonlinear optics NiO. The material is modeled as a doubly embedded cluster all intragap d-character states are calculated, thus explaining experimental results.

参考文章(8)
C. de Graaf, F. Illas, R. Broer, W. C. Nieuwpoort, On the magnetic coupling in NiO Journal of Chemical Physics. ,vol. 106, pp. 3287- 3291 ,(1997) , 10.1063/1.473065
R. Gómez-Abal, O. Ney, K. Satitkovitchai, W. Hübner, All-optical subpicosecond magnetic switching in NiO(001) Physical Review Letters. ,vol. 92, pp. 227402- ,(2004) , 10.1103/PHYSREVLETT.92.227402
B. Fromme, M. Schmitt, E. Kisker, A. Gorschlüter, H. Merz, Spin-flip low-energy electron-exchange scattering in NiO(100). Physical Review B. ,vol. 50, pp. 1874- 1878 ,(1994) , 10.1103/PHYSREVB.50.1874
W. Hübner, K.-H. Bennemann, Nonlinear magneto-optical Kerr effect on a nickel surface. Physical Review B. ,vol. 40, pp. 5973- 5979 ,(1989) , 10.1103/PHYSREVB.40.5973
G. Lefkidis, W. Hübner, Ab initio treatment of optical second harmonic generation in NiO. Physical Review Letters. ,vol. 95, pp. 077401- ,(2005) , 10.1103/PHYSREVLETT.95.077401
M. Fiebig, D. Fröhlich, Th. Lottermoser, V. V. Pavlov, R. V. Pisarev, H.-J Weber, Second harmonic generation in the centrosymmetric antiferromagnet NiO. Physical Review Letters. ,vol. 87, pp. 137202- ,(2001) , 10.1103/PHYSREVLETT.87.137202
R. Newman, R. M. Chrenko, Optical Properties of Nickel Oxide Physical Review. ,vol. 114, pp. 1507- 1513 ,(1959) , 10.1103/PHYSREV.114.1507
K. Satitkovitchai, Y. Pavlyukh, W. Hübner, Ab initio embedded cluster study of optical second-harmonic generation below the gap of a NiO(001) surface Physical Review B. ,vol. 67, pp. 165413- ,(2003) , 10.1103/PHYSREVB.67.165413