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Theoretical studies on subfemtosecond dynamics of excited matters
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- Title
- Theoretical studies on subfemtosecond dynamics of excited matters
- Alternative Title
- 들뜬 상태에서의 서브펨토초 동역학에 관한 이론적 연구
- DGIST Authors
- Kim, Youngjae ; Kim, Hyunmin ; Lee, JaeDong
- Advisor
- 이재동
- Co-Advisor(s)
- Hyunmin Kim
- Issued Date
- 2020
- Awarded Date
- 2020-02
- Citation
- Youngjae Kim. (2020). Theoretical studies on subfemtosecond dynamics of excited matters. doi: 10.22677/Theses.200000283324
- Type
- Thesis
- Description
- Ultrafast subfemtosecond dyanmics, light and matter interactions, time-resolved photoemission spectroscopy
- Abstract
-
We introduce two aspects of the optical pulses (i.e., an audience watching the dynamics and a leading actor raising the dynamics) and demonstrate the interactions in terms of observations of real time-resolved responses and novel applications to open up the fastest electronics. First, we propose a new calculation tech-nique for the time-resolved photoemission spectroscopy that efficiently capture the real-time spectral weights of electronic structures of time-evolving single-particle Kohn-Sham orbitals in solid systems at the extremely ultrashort temporal space. It is found that the calculation can be used to explorer the non-equilibrium phase transitions of strongly correlated electron systems within the frame of the Tran-Blaha exchange potential so that it gives a new insight into the dynamical aspect of Zaanen-Sawatzky-Allen scheme in the case of excited CuO and NiO. We also introduce an appearance of pseudospin-correlated optical transitions in graphene and this would provide a chance to observe the dynamics of pseudospins in emerging materials. Second, control of electrons or their spins in the subfemtosecond time span could become a new pathway to the fastest elec-tronics or spintronics based on the light-wave-induced dynamics. We shall see the applied strain in wide-gap semiconductors is found to be a useful application to manipulate the light-wave-induced current in terms of change in effective mass as a controlling parameter. Also, we provide a smart heterojunction between 2D ferromagnetic transition metal tri-chalcogenide and non-magnetic semiconductor is shown as a petahertz spin device that generate spin filtered current or injector under the strong optical field. We believe our studies on the real-time dynamics provides an unexplored and undefined aspect induced by the optical pulses and suggests new guidance to the meaningful subfemtosecond physics.
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- Table Of Contents
-
I. Introduction
1.1 Extreme time scale 1
1.2 Ultrafast dynamics in solids 2
1.2.1 Light as an actor: pumping the dynamics 3
1.2.2 Light as an audience: probing the dynamics 3
II. Theoretical frameworks
2.1 Solving Time-dependent Schrödinger’s equations 5
2.1.1 Time-evolved two-level model 5
2.1.2 Dynamics of solid systems 9
2.2 Exact diagonalization for many-body problems 17
2.2.1 Hubbard model 17
2.2.2 Time-evolution of Hubbard system 23
2.3 Density functional theory 27
2.3.1 Kohn-Sham equation 28
2.3.2 Augmented plane wave 31
2.3.3 Local-density approximation 34
2.3.4 Modified Becke-Johnson potential 36
2.3.5 Time-dependent density functional theory 38
2.3.6 Time-resolved angle-resolved photoemission spectroscopy 42
III. Results and discussion I: correlation-dressed excited states of solids
3.1 Correlation-dressed excited states of solids 48
3.2 Correlation induced band mixing in excited states of NiO and CuO 50
3.3 Quantum-phase-dressed excited states of graphene 60
3.4 Conclusion 70
IV. Results and discussion II: Spins at petahertz time scale
4.1 Petahertz frequency control of spins 72
4.2 Model for petahertz spins 74
4.3 TDDFT results of CrPTe3/Sb(111) 83
4.4 Magnetic exchange in the heterostructure 85
4.5 Spin-orbit coupling effect 86
4.6 Conclusion 88
V. Results and discussion III: Subfemtosecond charge driving
5.1 Subfemtosecond charge driving with correlation-assisted band engineering 90
5.2 Band engineering 93
5.3 Excitonic correlation 99
5.4 Conclusion 106
VI. Summary
Summary 108
VII. References
References 110
- URI
-
http://dgist.dcollection.net/common/orgView/200000283324
http://hdl.handle.net/20.500.11750/11991
- Degree
- Doctor
- Department
- Emerging Materials Science
- Publisher
- DGIST
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