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First-Principles Study of 2D Topolog...

Jiang, Xuance,

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First-Principles Study of 2D Topological Heterostructures and Complex Metal Oxides /

Record Type:	Electronic resources : Monograph/item
Title/Author:	First-Principles Study of 2D Topological Heterostructures and Complex Metal Oxides // Xuance Jiang.
Author:	Jiang, Xuance,
Description:	1 electronic resource (158 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 86-04, Section: B.
Contained By:	Dissertations Abstracts International86-04B.
Subject:	Physics. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=31489466
ISBN:	9798342306058

First-Principles Study of 2D Topological Heterostructures and Complex Metal Oxides /
Jiang, Xuance,

First-Principles Study of 2D Topological Heterostructures and Complex Metal Oxides /Xuance Jiang. - 1 electronic resource (158 pages)

Source: Dissertations Abstracts International, Volume: 86-04, Section: B.

Heterostructures of two dimensional (2D) materials offer a new platform for studying novel quantum states by exploiting the interplay among topological orders, charge orders and magnetic orders. The diverse interface attributes, such as material combination, charge re-arrangement, defect and strain, can be utilized to manipulate the quantum properties of this class of materials.In the thesis, we perform first-principles studies of 2D van der Waals topological material heterostructures and demonstrate the tunability of their topological properties based on interface design. First, we identify the origin of the unexpected signature of surface states in 1T-VSe2 observed in the angle-resolved photoelectron spectroscopy experiment. Based on density functional theory calculations and the analysis of the irreducible band representation, we find that the nontrivial topological surface states are caused by the strain-induced band inversion. The second study focuses on Bi2Se3/BiSe/transition metal dichalcogenide (TMDC) heterostructures. We find significant charge transfer at both BiSe/TMDC and Bi2Se3/BiSe interfaces driven by the work function difference, which stabilizes a buffer BiSe layer as an electron donor and creates interface dipole. The electric field of the interface dipole breaks the inversion symmetry in the Bi2Se3 layer, leading to the giant Rashba band splitting in two quintuple layers and the recovery of the Dirac point in three quintuple layers of Bi2Se3 films. Finally, we propose the 1T' -WS2/2H-WS2 heterophase bilayer as a candidate system for topological superconductors with Rashba-type superconductivity. The hybridization between the 2H-WS2 layer and the 1T'-WS2 layer induces Rashba band splitting and enhances the critical temperature of monolayer 1T'-WS2.Additionally, we study the phase evolution in amorphous zinc titanates as a parallel project of tuning the material's optical properties by varying the composition of metal cations using combinatorial sample growth. By combining first-principles simulation with a new X-ray absorption spectral analysis method, we provide a coherent interpretation of a multimodal dataset, including X-ray diffraction, X-ray absorption near edge structures and spectroscopic ellipsometry.Our studies reveal novel material properties and topological phases that arise from the rich interplay among spin-orbit effects, band topology, and superconductivity in quantum material heterostructures with potential applications in quantum devices.

English

ISBN: 9798342306058Subjects--Topical Terms:

516296
Physics.
Subjects--Index Terms:

Density functional theory

First-Principles Study of 2D Topological Heterostructures and Complex Metal Oxides /
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