60 citations · 222 across the 11 of their papers we have counts for
11 papers
GEWUM: General Exploration Workflow for the Utopia of Materials: A Unified Platform for Automated Structure Generation, Selection, and Validation
Jiexi Song, Aixian She, Changpeng Song +3
The fragmented landscape of existing computational tools often hinders the seamless integration of large-scale structure prediction with rigorous stability validation. To address t…
Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction
Jiexi Song, Diwei Shi, Fengyuan Xuan +1
Chiral inorganic crystals, particularly semiconductors with Weyl points near the band edges or semimetals hosting Weyl points at the Fermi level, have attracted considerable intere…
Stacking faults enabled second harmonic generation in centrosymmetric van der Waals RhI3
Yue Liu, Wen He, Bingze Wu +12
Second harmonic generation (SHG) in van der Waals (vdWs) materials has garnered significant attention due to its potential for integrated nonlinear optical and optoelectronic appli…
Quantum Geometric Advantage of the Correlated Exciton State in Non-linear Optics
MingRui Lai, Fengyuan Xuan, Su Ying Quek
The concept of quantum geometry for single-particle states has revolutionized our interpretation of several emergent properties in condensed matter. However, a description of the q…
Dynamical exciton condensates in biased electron-hole bilayers
Zhiyuan Sun, Yuta Murakami, Tatsuya Kaneko +2
Bilayer materials may support interlayer excitons comprised of electrons in one layer and holes in the other. In experiments, a non-zero exciton density is typically sustained by a…
Exciton-Enhanced Spontaneous Parametric Down-Conversion in Two-Dimensional Crystals
Fengyuan Xuan, MingRui Lai, Yaze Wu +1
We show that excitonic resonances and interexciton transitions can enhance the probability of spontaneous parametric down-conversion, a second-order optical response which generate…
Valley-Filling Instability and Critical Magnetic Field for Interaction-Enhanced Zeeman Response in Doped WSe Monolayers
Fengyuan Xuan, Su Ying Quek
Carrier-doped transition metal dichalcogenide (TMD) monolayers are of great interest in valleytronics due to the large Zeeman response (g-factors) in these spin-valley-locked mater…
Spin-dependent Tunneling Barriers in CoPc/VSe2 from Many-Body Interactions
Runrun Xu, Fengyuan Xuan, Su Ying Quek
Mixed-dimensional magnetic heterostructures are intriguing, newly available platforms to explore quantum physics and its applications. Using state-of-the-art many-body perturbation…
Dielectric Screening by 2D Substrates
Keian Noori, Nicholas Lin Quan Cheng, Fengyuan Xuan +1
Two-dimensional (2D) materials are increasingly being used as active components in nanoscale devices. Many interesting properties of 2D materials stem from the reduced and highly n…
Valley Zeeman effect and Landau levels in Two-Dimensional Transition Metal Dichalcogenides
Fengyuan Xuan, Su Ying Quek
This paper presents a theoretical description of both the valley Zeeman effect (g-factors) and Landau levels in two-dimensional H-phase transition metal dichalcogenides (TMDs) usin…
Quasiparticle Levels at Large Interface Systems from Many-body Perturbation Theory: the XAF-GW method
Fengyuan Xuan, Yifeng Chen, Su Ying Quek
We present a fully ab initio approach based on many-body perturbation theory in the GW approximation, to compute the quasiparticle levels of large interface systems without signifi…