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http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/19242完整後設資料紀錄
| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 林敏聰(Minn-Tsong Lin) | |
| dc.contributor.author | Po-Ya Yang | en |
| dc.contributor.author | 楊博亞 | zh_TW |
| dc.date.accessioned | 2021-06-08T01:50:16Z | - |
| dc.date.copyright | 2016-08-03 | |
| dc.date.issued | 2016 | |
| dc.date.submitted | 2016-07-27 | |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/19242 | - |
| dc.description.abstract | 碲鉍⻧化物 (bismuth tellurohalides) 是擁有巨大 Rashba 效應的半導體,存在於 其帶有相反極性的兩端面中,帶有的自旋-動量垂直關係 (spin-momentum locked) 的載子,有應用在自旋電子學裝置的潛力。我們使用密度泛函方法,研究溴碲化 鉍的碲端面的晶格結構、表面電子組態。並且,藉由討論在倒空間等能量電子 組態分佈 (constant energy contours) 所有可能的態轉換,我們模擬出準粒子干涉 (quasiparticle interference) 條紋。結合狀態密度 (joint density of states) 和自旋散 射機率 (spin scattering probability) 分別是沒有考慮、有考慮自旋版本的準粒子干 涉。最後,比較模擬和實驗的準粒子干涉條紋,發現自旋不守恆的反向散射,不 存在於溴碲化鉍的碲端面上。 | zh_TW |
| dc.description.abstract | Bismuth Tellurohalides are semiconductors with a giant Rashba e ect. They have two oppositely polarised surfaces with two-dimensional spin-momentum locked he- lical charge carriers, which are good candidates to achieve the goal of spin control in novel spintronic devices. Within the framework of density functional theory, we study the band structure of the Te-termination of ordered phase bismuth telluro- bromide, BiTeBr. Considering all the possible parings of initial and nal states in the constant energy contours (CEC), we further simulate the quasiparticle interfer- ence (QPI) patterns. By excluding or including the helical spin texture, there are actually two versions of simulated QPI patterns, joint density of states (JDOS) and spin scattering probability (SSP). Finally, we compare the simulated phenomena with measured tunnelling spectro-microscopy maps. We show that backscattering with opposite spin is absent in this system. | en |
| dc.description.provenance | Made available in DSpace on 2021-06-08T01:50:16Z (GMT). No. of bitstreams: 1 ntu-105-R03222015-1.pdf: 19896874 bytes, checksum: eb472816d7b19a4954e014b328fae1f9 (MD5) Previous issue date: 2016 | en |
| dc.description.tableofcontents | 1 Overview 1
2 Introduction 3 2.1 RashbaE ectonTwoDimensionalElectronGas . . . . . . . . . . . 3 2.2 The Development about the Research of Spin-Orbit Coupling . . . . 4 3 Experimental Techniques and Apparatus 7 3.1 DensityFunctionalTheory........................ 7 3.1.1 Many-ElectronGroundStateProblem . . . . . . . . . . . . . 7 3.1.2 Variational Method in the Searching of Ground State . . . . . 8 3.1.3 Thomas-FermiModel....................... 9 3.1.4 Hohenberg-KohnTheorems ................... 11 3.1.5 Kohn-ShamEquations...................... 12 3.1.6 Exchange-CorrelationFunctionals. . . . . . . . . . . . . . . . 13 3.2 ScanningTunnelingMicroscopy ..................... 15 3.2.1 TunnelingModelofSTM .................... 15 3.2.2 ScanningTunnelingSpectroscopy................ 16 3.2.3 Ultra-High Vacuum Low-Temperature STM . . . . . . . . . . 17 3.3 SamplePreparation............................ 17 4 About the Material BiTeBr 19 4.1 CrystalStructureofBiTeBr ....................... 19 4.1.1 Theoretical Relaxation of Lattice Structure . . . . . . . . . . 20 4.1.2 Lattice Structure from STM Experiments . . . . . . . . . . . 22 4.1.3 SurfaceCalculationonBiTeBr ................. 23 4.2 ElectronicStructureofBiTeBr ..................... 28 4.2.1 Spin-OrbitCouplingandBandStructure. . . . . . . . . . . . 28 4.2.2 Electronic Structure from STS Experiments . . . . . . . . . . 29 5 Simulation of Quasiparticle Interference Patterns 31 5.1 Quasiparticle Interference Pattern Measured by STM . . . . . . . . . 32 5.1.1 ElasticScatteringandStandingWaves . . . . . . . . . . . . . 32 5.1.2 Conductance Modulation Measured by STS . . . . . . . . . . 33 5.2 ConstantEnergyContours........................ 35 5.3 JointDensityofStatesandConvolutionMethod. . . . . . . . . . . . 37 5.3.1 JointDensityofStates...................... 37 5.3.2 AboutConvolution........................ 37 5.3.3 ConvolutionMethodonCEC .................. 39 5.4 Spin-IncludedSimulatedQPI ...................... 42 5.4.1 SpinScatteringProbability ................... 42 5.4.2 SpinInformationfromVASP .................. 42 5.4.3 SpinorandSSP.......................... 43 5.5 DiscussionoftheData .......................... 46 5.5.1 Comparison between Simulated and Measured QPI Patterns . 46 5.5.2 Discussion of the in-plane and out-of-plane Components of Spin 48 5.5.3 Possibility to Acquire More Information by Using Spin-Polarized STM................................ 50 6 Conclusions 52 Appendices 54 A Comparison between Exchange-Correlation Functionals 55 B Proof to the SSP Formula of Spin Angles 58 C Dealing with the Central Peak from Self-Convolution Methods 60 Bibliography 62 | |
| dc.language.iso | en | |
| dc.title | 利用第一原理計算模擬研究在巨大Rashba半導體溴碲化鉍上的準粒子干涉 | zh_TW |
| dc.title | First-Principle-Calculations and Simulations of Quasiparticle
Interference at the Surface of a Giant Rashba Semiconductor BiTeBr | en |
| dc.type | Thesis | |
| dc.date.schoolyear | 104-2 | |
| dc.description.degree | 碩士 | |
| dc.contributor.coadvisor | 魏金明(Ching-Ming Wei) | |
| dc.contributor.oralexamcommittee | 唐毓慧(Yu-Hui Tang) | |
| dc.subject.keyword | Rashba 效應,溴碲化鉍,掃描式穿隧電子顯微鏡,掃描式穿隧電子能譜,密度泛函理論,準粒子干涉, | zh_TW |
| dc.subject.keyword | Rashba effect,BiTeBr,scanning tunnelling microscopy,scanning tunnelling spectroscopy,density functional theory,quasi-particle interference, | en |
| dc.relation.page | 67 | |
| dc.identifier.doi | 10.6342/NTU201601347 | |
| dc.rights.note | 未授權 | |
| dc.date.accepted | 2016-07-28 | |
| dc.contributor.author-college | 理學院 | zh_TW |
| dc.contributor.author-dept | 物理學研究所 | zh_TW |
| 顯示於系所單位： | 物理學系 | |
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