Ultrafast Optically Induced Ferromagnetic State in an Elemental Antiferromagnet

Golias, E.; Kumberg, Ivar; Gelen, I.; Thakur, Sangeeta; Gördes, J.; Hosseinifar, Rahil; Guillet, Quentin; Dewhurst, J. K.; Sharma, Sangeeta; Schüßler-Langeheine, C.; Pontius, N.; Kuch, W.

doi:10.1103/physrevlett.126.107202

Cited by 32 publications

(36 citation statements)

References 41 publications

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“…Due to the treatment of laser field, the inclusion of multiple k ‐points, and the accuracy of plane‐wave basis, this rt‐TDDFT is capable of simulating the ultrafast phenomena for different types of systems, including periodic crystals, two‐dimensional materials, molecules, and so on. It is capable of simulating their spin, electron, and structure dynamics at the same time under the excitation of different external field (e.g., light, electric field, and magnetic field) 59–62 …”

Section: Methodsmentioning

confidence: 99%

“…Spin‐orbit interaction is important in many physical problems, and our rt‐TDDFT algorithm is effective in dealing with systems with SOC 56–58 . The generation of ultrafast spin current 59,60 and optically driven fast demagnetization is an intensely studied contemporary topic 61,62 . The application of rt‐TDDFT has opened up a way to theoretically investigate such problems.…”

Section: Introductionmentioning

confidence: 99%

“…[56][57][58] The generation of ultrafast spin current 59,60 and optically driven fast demagnetization is an intensely studied contemporary topic. 61,62 The application of rt-TDDFT has opened up a way to theoretically investigate such problems.…”

Section: Introductionmentioning

confidence: 99%

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Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics

Liu

Wang

Chen

et al. 2021

WIREs Comput Mol Sci

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Far from equilibrium phenomenon is a central theme of contemporary material research. Such phenomenon can exhibit itself in atomic structure and dynamics, but very often it also happens as non-equilibrium phenomenon in the electronic structure. In ab initio material simulation, density functional theory (DFT) has played an essential role in studying electronic ground state problems. For excited states, besides many-body perturbation theory, another powerful tool is the time dependent DFT (TDDFT) method. In particular, the real-time TDDFT (rt-TDDFT) method can be used to simulate many non-equilibrium phenomena directly. Here we introduce our works on some algorithm advances based on our recently rt-TDDFT method. This method uses the plane-wave basis set, and significantly accelerates its efficiency by increasing the time step from 0.1-1 as in traditional methods to 0.2-0.5 fs. The noncollinear magnetic moments and spin-orbit coupling have also been included in our rt-TDDFT method. Furthermore, a Boltzmann-TDDFT algorithm has been developed to solve the hot carrier overheating problem in Ehrenfest dynamics, and a natural orbital branching algorithm has been developed to overcome the mean-field approximation in Ehrenfest dynamics nuclear trajectory, thus allows stochastic multiple paths in chemical reactions. Utilizing these methods, we have studied the photoinduced ultrafast demagnetization, ultrafast phase transition, energy transfer between plasmon and hot carriers, as well as the high-energy ion implantation and low-energy atomic diffusion in semiconductors.We believe the tools as the ones introduced here can enable us to study a wide range of phenomena which are of great interest in modern day material research.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics

Liu

Wang

Chen

et al. 2021

WIREs Comput Mol Sci

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“…Ferromagnetism appears in some of the transition metals (such as iron, cobalt, nickel) and their alloys and compounds. 41,97 In general, ferromagnetism exists below a certain temperature, above which the material is paramagnetic. This certain temperature is called the Curie temperature (T C ).…”

Section: Ferromagnetismmentioning

confidence: 99%

Two-dimensional magnetic atomic crystals

Zhang

Yang

et al. 2022

Mater. Horiz.

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“…It is worth mentioning that recent time-resolved experiments have been successfully carried out by applying X-ray magnetic circular dichroism in reflectivity: an ultrafast optically induced ferromagnetic alignment of antiferromagnetic Mn in Co/Mn multilayers has been observed probing the L 3 edge of Mn in reflectivity after an ultrashort laser excitation [112]. Ultrafast, element-dependent demagnetization dynamics were studied in a Co/Pt multilayer with an X-ray-free electron laser by probing the Pt N 6,7 and Co M 2,3 edges [113].…”

Section: Other Casesmentioning

confidence: 99%

Resonant Soft X-ray Reflectivity in the Study of Magnetic Properties of Low-Dimensional Systems

2021

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In this review, the technique of resonant soft X-ray reflectivity in the study of magnetic low-dimensional systems is discussed. This technique is particularly appealing in the study of magnetization at buried interfaces and to discriminate single elemental contributions to magnetism, even when this is ascribed to few atoms. The major fields of application are described, including magnetic proximity effects, thin films of transition metals and related oxides, and exchange-bias systems. The fundamental theoretical background leading to dichroism effects in reflectivity is also briefly outlined.

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Ultrafast Optically Induced Ferromagnetic State in an Elemental Antiferromagnet

Cited by 32 publications

References 41 publications

Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics

Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics

Two-dimensional magnetic atomic crystals

Resonant Soft X-ray Reflectivity in the Study of Magnetic Properties of Low-Dimensional Systems

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