TY - JOUR
T1 - Laser-Induced Demagnetization at Ultrashort Time Scales
T2 - Predictions of TDDFT
AU - Krieger, K.
AU - Dewhurst, J. K.
AU - Elliott, P.
AU - Sharma, S.
AU - Gross, E. K.U.
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2015/8/26
Y1 - 2015/8/26
N2 - Time-dependent density functional theory (TDDFT) is implemented in an all electron solid-state code for the case of fully unconstrained noncollinear spins. We use this to study intense, short, laser pulse-induced demagnetization in bulk Fe, Co, Ni and find that demagnetization can take place on time scales of <20 fs. It is demonstrated that this form of demagnetization is a two-step process: excitation of a fraction of electrons followed by spin-flip transitions mediated by spin-orbit coupling of the remaining localized electrons. We further show that it is possible to control the moment loss by tunable laser parameters, including frequency, duration, and intensity.
AB - Time-dependent density functional theory (TDDFT) is implemented in an all electron solid-state code for the case of fully unconstrained noncollinear spins. We use this to study intense, short, laser pulse-induced demagnetization in bulk Fe, Co, Ni and find that demagnetization can take place on time scales of <20 fs. It is demonstrated that this form of demagnetization is a two-step process: excitation of a fraction of electrons followed by spin-flip transitions mediated by spin-orbit coupling of the remaining localized electrons. We further show that it is possible to control the moment loss by tunable laser parameters, including frequency, duration, and intensity.
UR - http://www.scopus.com/inward/record.url?scp=84944222506&partnerID=8YFLogxK
U2 - 10.1021/acs.jctc.5b00621
DO - 10.1021/acs.jctc.5b00621
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AN - SCOPUS:84944222506
SN - 1549-9618
VL - 11
SP - 4870
EP - 4874
JO - Journal of Chemical Theory and Computation
JF - Journal of Chemical Theory and Computation
IS - 10
ER -