Yuefeng Yin 尹越峰
Research Fellow · Quantum Physics + Computational Materials Science
Department of Materials Science and Engineering / School of Physics and Astronomy
Monash University, Melbourne, Victoria, Australia
Research Profile
I use and develop advanced computational methods — DFT, tight-binding modelling, and machine-learning potentials — to uncover the electronic, topological, and transport properties of quantum materials. My work bridges condensed matter physics and materials science to discover material candidates with ultralow energy consumption and lightning-fast spin transport, with direct relevance to next-generation electronics. I actively collaborate across theory, experiment, and industry partners.
Developing DFT-Tight Binding Workflows for Quantum Physics
PythonFortranVASPwannier90MATLABC
May 2017 — Current
Discovering New Topological Materials For Spintronics
VASPwannier90PythonFortranMATLAB
May 2017 — Current
Change Graphene For Better Electronics
VASPPythonMATLAB
Mar. 2012— 2018
2D Materials Beyond Graphene
VASPwannier90
Mar. 2012— Current
Academic Formation
Ph.D. in Materials Science and Engineering
Monash University, Melbourne, Victoria, Australia
Thesis: Tailoring the electronic structure of graphene via molecular adsorption
Advisor: Nikhil Medhekar, Co-advisor: Jiri Cervenka
B.Eng. in Materials Science and Enginnering (2+2 Program)
Monash University / Central South University, Melbourne, Victoria, Australia / Changsha, Hunan, China
Thesis: Molecular Dynamics Simulation of Graphene and Related Materials
Professional Track
Monash University, Melbourne, Victoria, Australia
Senior Research Fellow, Department of Materials Science and Engineering / School of Physics and Astronomy
Conducting research in 2D materials and computational methodology development.
Monash University, Melbourne, Victoria, Australia
Research Fellow, Department of Materials Science and Engineering / School of Physics and Astronomy
Mentor: ,
Conducting research in topological materials under ARC Centre of Excellence in Future Low-Energy Electronic Technologies (FLEET).
Commonwealth Scientific and Industrial Research Organisation (CSIRO), Melbourne, Victoria, Australia
Research Associate, CSIRO Mineral Processing
Mentor:
Measuring thermal properties of molten salt mixtures used in concentrated solar power
Publication Portfolio
42 peer-reviewed journal articles in Materials Today Physics (IF 11.5), ACS Nano (IF 17.1), npj Quantum Materials (IF 5.7), Journal of Physical Chemistry Letters (IF 5.7), Nature Communications (IF 16.6), Advanced Functional Materials (IF 19.0), and Nano Letters (IF 10.8). Total citations: 1110 · h-index: 18.
5 Representative Publications
Representative Publication 1 / 5
Extracting Unconventional Spin Texture in Two Dimensional Topological Crystalline Insulator Bismuthene via Tuning Bulk-Edge Interactions
First systematic study of how bulk-edge interactions affects edge tranport in 2D topological materials and reveals coexistence of unconventional and coventional helical states in topological crystalline insulators.
Representative Publication 2 / 5
Gigantic Anisotropy of Self-Induced Spin-Orbit Torque in Weyl Ferromagnet Co2MnGa
Excellent agreement between theory and experiment in predicting the anisotropy of spin-orbit torque in Weyl ferromagnet Co2MnGa.
Representative Publication 3 / 5
Localized Wannier Function Based Tight-Binding Models for Two-Dimensional Allotropes of Bismuth
Developing a workfow of transforming first-principles calculations into simplified and symmetrized tight-binding models for two-dimensional allotropes of bismuth.
Representative Publication 4 / 5
Selective Control of Surface Spin Current in Topological Pyrite-Type OsX2 (X = Se, Te) Crystals
First theoretical prediction of anisotropic surface spin states in a pristine non-magnetic material.
Representative Publication 5 / 5
Molecular Dipole-Driven Electronic Structure Modifications of DNA/RNA Nucleobases on Graphene
Summarizing highlights of my Ph.D. work on the electronic structure modifications of graphene via molecular adsorption.
Full Journal List
Uncovering complex phonon interactions in Mg3Bi2-xSbx: topology and avoided crossings
Efficient and Robust p-Type Transistor Based on Ultrawide-Bandgap Semiconductor
Band Structure Engineering to Optimize Spin-Wave Propagation in Weyl ferromagnet Co2MnGa1-xGex
Edge state stabilization and control in 2D topological crystalline insulators
Giant temperature-independent ultraviolet circular dichroism in Co2MnX (X = Ga, Ge) Heusler magnetic thin films
Room temperature quantum metric effect in TbMn6Sn6
Giant berry curvature in amorphous ferromagnet Co2MnGa
Pick-and-Place Transfer of Arbitrary-Metal Electrodes for van der Waals Device Fabrication
Generic Approach to Intrinsic Magnetic Second-Order Topological Insulators via Inverted p–d Orbitals
Electrically Controlled High Sensitivity Strain Modulation in MoS2 Field‐Effect Transistors via a Piezoelectric Thin Film on Silicon Substrates
Electron–phonon interactions at the topological edge states in single bilayer Bi (111)
Origin of Different Piezoelectric Responses in Elemental Sb and Bi Monolayers
Quasi-free-standing AA-stacked Bilayer Graphene Induced by Calcium Intercalation of the Graphene-Silicon Carbide Interface
Using Optical Spectroscopy to Probe the Impact of Atomic Disorder on the Heusler Alloy Co2MnGa
Extracting Unconventional Spin Texture in Two Dimensional Topological Crystalline Insulator Bismuthene via Tuning Bulk-Edge Interactions
Gigantic Anisotropy of Self-Induced Spin-Orbit Torque in Weyl Ferromagnet Co2MnGa
Giant Piezoresistivity in a van der Waals Material Induced by Intralayer Atomic Motions
Wavelength-Controlled Photocurrent Polarity Switching in BP-MoS2 Heterostructure
Near-Infrared and Visible-Range Optoelectronics in 2D Hybrid Perovskite/Transition Metal Dichalcogenide Heterostructures
Polarity-Tunable Photocurrent through Band Alignment Engineering in a High-Speed WSe2/SnSe2 Diode with Large Negative Responsivity
Proposal for a Negative Capacitance Topological Quantum Field-Effect Transistor
Manifestation of Strongly Correlated Electrons in a 2D Kagome Metal–Organic Framework
Crossover from 2D Ferromagnetic Insulator to Wide Band Gap Quantum Anomalous Hall Insulator in Ultrathin MnBi2Te4
Localized Wannier Function Based Tight-Binding Models for Two-Dimensional Allotropes of Bismuth
Magnesium-Intercalated Graphene on SiC: Highly n-doped Air-Stable Bilayer Graphene at Extreme Displacement Fields
Probing the Dynamic Structural Changes of DNA Using Ultrafast Laser Pulse in Graphene‐Based Optofluidic Device
Berry Curvature Origin of the Thickness-Dependent Anomalous Hall Effect in a Ferromagnetic Weyl Semimetal
First-Principles Study of Mechanical and Optical Properties for ZnS1− xOx Alloying Compounds
Intrinsic-Strain-Induced Curling of Free-Standing Two-Dimensional Janus MoSSe Quantum Dots
Freestanding n-Doped Graphene via Intercalation of Calcium and Magnesium into the Buffer Layer–SiC(0001) Interface
Chemical Switching of Low-Loss Phonon Polaritons in α-MoO3 by Hydrogen Intercalation
Electronic Band Structure of In-Plane Ferroelectric van der Waals β′-In2Se3
Selective Control of Surface Spin Current in Topological Pyrite-Type OsX2 (X = Se, Te) Crystals
Designing Optoelectronic Properties by On-Surface Synthesis: Formation and Electronic Structure of an Iron–Terpyridine Macromolecular Complex
Designing Optoelectronic Properties by On-Surface Synthesis: Formation and Electronic Structure of an Iron–Terpyridine Macromolecular Complex
Designing Optoelectronic Properties by On-Surface Synthesis: Formation and Electronic Structure of an Iron–Terpyridine Macromolecular Complex
The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons
Molecular Dipole-Driven Electronic Structure Modifications of DNA/RNA Nucleobases on Graphene
Harnessing Lewis Acidic Open Metal Sites of Metal–Organic Frameworks: the Foremost Route to Achieve Highly Selective Benzene Sorption Over Cyclohexane
The Formation Mechanism of Janus Nanostructures in One-Pot Reactions: the Case of Ag–Ag8GeS6
Tunable Hybridization Between Electronic States of Graphene and Physisorbed Hexacene
Graphene Field Effect Transistor as a Probe of Electronic Structure and Charge Transfer at Organic Molecule–Graphene Interfaces
Conference
Tuning the Edge States of Bismuthene via Substrate Effects
Tight-Binding Models for Two-Dimensional Allotropes of Bismuth-based on Localized Wannier Functions
Tuning the Surface Spin Textures of Topological Materials
Enhancing Electronic Fingerprints of Physisorbed Molecules of Graphene
Exploring and Predicting New Topological Electronic Materials Based on First Principles Calculations
Tunable Hybridisation Between the Electronic States of Graphene and Physisorbed Molecules
Grants & Funding
Exploring New Approaches of Modeling Defects in Materials
NCI Adapter Scheme/NCI-Monash Computational Scheme
3M+ SU CPU hours (approximately A$200,000 in research expense)
Understanding the interfacial interactions for semiconductor-metal/semiconductor contact
Pawsey Fast Track Scheme
500K SU CPU hours (approximately A$30,000 in research expense)
Topological properties of Anisotropic Weyl semi-metal Co2MnGa
FLEET-MacDiarmid Collaborative Grant
Co-PI: Dr. Simon Granville, Victoria University of Wellington, New Zealand.
A$10,750 to conduct short-term collaborative visits to Victoria University of Wellington, New Zealand.
Teaching & Mentoring
Teaching
Lecturer
Monash University / Central South University, Melbourne, Victoria, Australia / Changsha, Hunan, China
Computational Materials Science, Materials Characterization, and Fundamentals of Materials Science
Graduate Teaching Assistant
Monash University, Melbourne, Victoria, Australia
Modeling of Materials, and Materials Characterization
PhD Mentoring
- Hanqi Wang Ph.D. Candidate, Materials Science and Engineering, Monash University 2025 - Current
- Minh Tien Le Ph.D. Candidate, Materials Science and Engineering, Monash University 2025 - Current
- Rahul Awale Joint Ph.D. Candidate in Monash University and Indian Institute of Technology, Bombay 2025 - Current
- Tung Huynh Ph.D. Candidate, Materials Science and Engineering, Monash University 2024 - Current
- Ziyuan Zhao Ph.D. in Materials Science and Engineering, Monash University 2021 - 2025
- Enamul Haque Ph.D. in Materials Science and Engineering, Monash University 2021 - 2025
- Bernard Field Ph.D. in Physics, Monash University 2019 - 2023
- Abin Varghese Joint Ph.D. in Materials Science and Engineering, Monash University and Ph.D. in Electric Engineering, Indian Institute of Technology, Bombay 2019 - 2023
- Chutian Wang Ph.D. in Materials Science and Engineering, Monash University 2018 - 2022
- Qile Li Ph.D. in Physics, Monash University 2019
Press & Outreach
- Sep. 2023 Topological Gardening To Achieve Unexpected Spin Transport Materials Australia
- Dec. 2019 New spin directions in pyrite an encouraging sign for future spintronics Australian Research Council (ARC) Newsletter
- Nov. 2019 The Hetero-Interface is the Device: A Computational Approach FLEET website