低維新型納米材料的電荷與自旋輸運（英文版）

定　價：￥88.00

作　者：	陳銅，董先聲，嚴深浪著
出版社：	中南大學出版社
叢編項：	江西理工大學清江學術文庫
標　簽：	暫缺

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京東 (￥73.90)

ISBN：	9787548749783	出版時間：	2022-07-01	包裝：	平裝
開本：	16開	頁數：	207	字數：

內容簡介

　　自旋電子學是基于對電子的自旋屬性調控從而實現(xiàn)信息的處理和存儲等目標而發(fā)展的新興學科。與以電荷屬性為基礎的傳統(tǒng)電子學器件和材料相比，自旋電子學器件和材料具有低功耗、非易失性、高速等優(yōu)點而具有重要的應用前景。在理論研究中，雙探針系統(tǒng)被廣泛用于描述分子器件和納米器件。許多研究表明，納米器件的輸運特性不僅取決于所采用的納米材料，而且還取決于電極及其之間的耦合。本文主要對低維納米結模型器件中的電荷和自旋輸運進行了理論研究。在簡要回顧納米器件中量子傳輸的基本理論方法后，深入探討了分子器件中的開關比、自旋過濾以及自旋極化等，并給出相應的輸運量子調控的理論機理。

作者簡介

暫缺《低維新型納米材料的電荷與自旋輸運（英文版）》作者簡介

圖書目錄

Chapter 1 Introduction
Chapter 2 Basic theories for quantum transport
2.1 Born-Oppenheimer approximation
2.2 Molecular dynamic simulation
2.2.1 Classical molecular dynamics
2.2.2 Ab initio molecular dynamics
2.2.3 Particle statistics
2.3 Electronic structure methods
2.3.1 Hartree-fock method
2.3.2 Density functional theory
2.4 General transport theory
2.4.1 Drude model
2.4.2 Boltzmann transport equation
2.4.3 Linear response transport theory
2.4.4 Quantum transport theory
2.4.5 Landauer approach
2.4.6 Lippmann-Schwinger equation
2.4.7 Non-equilibrium Green's function approach
Chapter 3 Electronic structures and transport properties of low-dimensional GaN nanoderivatives: a first-principles study
3.1 Introduction
3.2 Sample structure and computational details
3.3 Results and discussions
3.3.1 Electronic structures of two-dimensional bilayer GaN structures
3.3.2 Transport characteristics of one-dimensional GaN devices
3.4 Conclusion
Chapter 4 Length-independent multifunctional device based on penta-tetra-pentagonal molecule: a first-principles study
4.1 Introduction
4.2 Model and method
4.3 Result and discussion
4.4 Summary and conclusion
Chapter 5 Modulating the properties of multi-functional molecular devices consisting of zigzag gallium nitride nanoribbons by different magnetic orderings: a first-principles study
5.1 Introduction
5.2 Models and methods
5.3 Results and discussion
5.4 Conclusions
Chapter 6 Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via
boundary passivations
6. 1 Introduction
6.2 Sample structure and computational details
6. 3 Results and discussion
6. 3.1 Electronic structures of TPO-zGNRs-H
6. 3.2 Electronic properties of TPO-zGNRs-X
6. 3.3 Transport properties of TPO-zGNRs-X model devices
6. 3.4 An obvious rectification and NDR effects in TPO-zGNRs-H/O model device
6.4 Conclusions
Chapter 7 Direction and strain controlled anisotropic transport behaviors of 2D GeSe-phosphorene vdW heterojunctions
7.1 Introduction
7.2 Sample structure and computational details
7.3 Results and discussion
7.4 Conclusions
Chapter 8 Carbon phosphide nanosheet and nanoribbon: insights on modulating their electronic properties by first principles
calculations
8.1 Introduction
8.2 Model and methods
8.3 Results and discussion
8.4 Conclusions
Chapter 9 High-performance spin rectification in gallium nitride- based molecular junctions with asymmetric edge passivation
9.1 Introduction
9.2 Models and methods
9.3 Results and discussion
9.3.1 Edge-passivation spin transmission
9.3.2 Width-independent rectification behavior
9.4 Conclusions
9.5 Supplementary material
Chapter 10 Modulation of electronic structure properties of C/B/AI-doped armchair GaN nanoribbons
10.1 Introduction
10.2 Model and method
10.3 Results and discussion
10.4 Conclusion
Chapter 11 Investigation of the electronic and magnetic properties of low-dimensional FeCl2 derivatives by first-principles
calculations
11.1 Introduction
11.2 Computational details
11.3 Results and discussion
11.4 Conclusions
Chapter 12 Modulation of electronic behaviors of InSe nanosheet and nanoribbons: the first-principles study
12.1 Introduction
12.2 Computational details
12.3 Results and discussion
12.3.1 Electronic structures of InSe nanosheet
12.3.2 Electronic structures of InSe nanoribbon
12.3.3 Electronic transport properties of zISNs
12.4 Conclusions
12.5 Supplementary material
References
Acknowledgement