Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT

K. Krieger; J. K. Dewhurst; P. Elliott; S. Sharma; E. K.U. Gross

doi:https://doi.org/10.1021/acs.jctc.5b00621

Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT

K. Krieger, J. K. Dewhurst, P. Elliott, S. Sharma, E. K.U. Gross

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	4870-4874
Number of pages	5
Journal	Journal of Chemical Theory and Computation
Volume	11
Issue number	10
DOIs	https://doi.org/10.1021/acs.jctc.5b00621
State	Published - 26 Aug 2015
Externally published	Yes

All Science Journal Classification (ASJC) codes

Computer Science Applications
Physical and Theoretical Chemistry

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https://doi.org/10.1021/acs.jctc.5b00621

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title = "Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT",

abstract = "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.",

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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.

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.

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M3 - مقالة

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 -

Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT

Abstract

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