2 citations · 2 across the 14 of their papers we have counts for
14 papers
Small-supercell and Small-dataset Training Strategy of Machine Learning Interatomic Potentials for Point Defects
Zhenxing Dai, Mingjue Ni, Xinpeng Li +3
Machine learning interatomic potentials (MLIPs) can treat large-scale material systems with near first-principles accuracy and have been widely used to accelerate point-defect simu…
Carrier Capture at Defects from Finite-Temperature Lattice Dynamics
Menglin Huang, Shanshan Wang, Shiyou Chen
Defect-assisted carrier capture is commonly described within nonradiative multiphonon (NMP) theory using normal modes of the equilibrium defect structure. This description becomes…
Predicting large-supercell defect formation energies from machine-learning charge density models trained on small supercells
Junjie Zhou, Menglin Huang, Shiyou Chen
First-principles defect calculations are often limited by the cost of the large supercells required to suppress image interactions. Machine-learning interatomic potentials (MLIPs)…
Nonradiative Multiphonon Model of Deep-Level Transient Spectroscopy: Beyond Henry-Lang Model
Menglin Huang, Shanshan Wang, Junjie Zhou +2
Deep-level transient spectroscopy (DLTS) is a key experimental method for defect characterization, yet its analysis remains controversial, and the two widely used models developed…
A wrong ground-state structure of HfO predicted by machine-learning interatomic potentials based on the PBE functional
Shuqi Tang, Jinchen Wei, Kang Wang +4
Machine-learning interatomic potentials (MLIPs) have become powerful tools for material simulations. Many MLIPs are trained based on density functional theory (DFT) datasets genera…
Substitutional platinum as an efficient nonradiative recombination center in silicon
Zhenxing Dai, Menglin Huang, Xin-Gao Gong +1
Platinum (Pt) is widely used for carrier-lifetime control in silicon power devices, yet the microscopic nonradiative recombination mechanism of the substitutional platinum ($\text{…
Machine learning Hamiltonian enables scalable and accurate defect calculations: The case of oxygen vacancies in amorphous SiO
Zhenxing Dai, Zhong Yang, Mingjue Ni +4
Point defects critically influence the properties of materials and devices, yet density functional theory (DFT) remains computationally demanding for defect supercell calculations.…
RASP: Reliability ab initio simulation package of MOSFETs based on all-state model
Xinjing Guo, Menglin Huang, Shiyou Chen
As transistors continue to scale down, device reliability has become a critical concern. In order to accurately simulate defect-induced reliability degradation in MOSFET based logi…
Symmetry Adapted Analysis of Screw Dislocation: Electronic Structure and Carrier Recombination Mechanisms in GaN
Yuncheng Xie, Haozhe Shi, Menglin Huang +3
As fundamental one-dimensional defects, screw dislocations profoundly reshape the energy landscape and carrier dynamics of crystalline materials. By restoring the exact algebra of…
Electroluminescence of NV Color Centers in Diamond p-i-n Diodes mediated by Charge-state Dynamics
Ruirong Bai, Menglin Huang, Shanshan Wang +2
As the electroluminescence (EL) of NV color centers in diamond has been realized in p-i-n diodes,the underlying mechanism remains a puzzle for longer than a decade. In this study,u…
"One defect, one potential" strategy for accurate machine learning prediction of defect phonons
Junjie Zhou, Xinpeng Li, Menglin Huang +1
Atomic vibrations play a critical role in phonon-assisted electron transitions at defects in solids. However, accurate phonon calculations in defect systems are often hindered by t…
Carrier Emission and Capture Competition mediated A(n)BC Recombination Model in Semiconductors with Multi-Level Defects
Shanshan Wang, Menglin Huang, Su-Huai Wei +2
The ABC model has been widely used to describe the carrier recombination rate, in which the rate of non-radiative recombination assisted by deep-level defects is assumed to depend…
Defect Phonon Renormalization during Nonradiative Multiphonon Transitions in Semiconductors
Junjie Zhou, Shanshan Wang, Menglin Huang +2
As a typical nonradiative multiphonon transition in semiconductors, carrier capture at defects is critical to the performance of semiconductor devices. Its transition rate is usual…
Metastability and anharmonicity enhance defect-assisted nonradiative recombination in low-symmetry semiconductors
Menglin Huang, Shanshan Wang, Shiyou Chen
Strong nonradiative recombination has been observed in quasi-one-dimensional antimony selenide, which runs counter to the simple intuition that claims high defect tolerance exists…