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Random nonequilibrium Green's function method for large-scale quantum transport simulation
期刊论文
PHYSICAL REVIEW B, 2024, 卷号: 110, 期号: 15
作者:
Zhang, Qingyun
;
Tang, Mingfa
;
Wang, Lei
;
Xia, Ke
;
Ke, Youqi
Adobe PDF(7040Kb)
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浏览/下载:345/6
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提交时间:2024/11/08
Green's function
Hamiltonians
Higher order statistics
Probability density function
Quantum computers
Quantum confinement
Quantum entanglement
Quantum optics
Random processes
Resonant tunneling
Solitons
Statistics
Stochastic systems
Density-functional-theory
Eigen modes
Electron transmission
First principles
Large-scales
Non-equilibrium Green functions method
Orbitals
Quantum transport properties
Quantum transport simulations
Superposition state
Dopant-mediated carrier tunneling in short-channel two-dimensional transistors
期刊论文
MATERIALS CHEMISTRY FRONTIERS, 2024, 卷号: 8, 期号: 20, 页码: 3300-3307
作者:
Lu, Yue
;
Li, Chenyu
;
Yang, Shenbo
;
Yuan, Mingxuan
;
Qiao, Shuo
Adobe PDF(3777Kb)
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浏览/下载:249/4
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提交时间:2024/08/26
Heterojunctions
Layered semiconductors
MOS devices
Quantum electronics
Short circuit currents
Silicon wafers
Surface discharges
Transistors
Carrier tunnelling
Density-functional theory calculations
Dopant atoms
MoS 2
Node technology
Quantum transport simulations
Short channels
Silicon-based electronics
Two-dimensional
Two-dimensional semiconductors
Emergence of quantum confinement in topological kagome superconductor CsV3Sb5
期刊论文
COMMUNICATIONS MATERIALS, 2024, 卷号: 5, 期号: 1
作者:
Cai, Yongqing
;
Wang, Yuan
;
Hao, Zhanyang
;
Liu, Yixuan
;
Sui, Xuelei
Adobe PDF(6714Kb)
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浏览/下载:598/115
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提交时间:2024/04/12
Band structure
Density functional theory
Electronic structure
Photoelectron spectroscopy
Quantum confinement
Semiconductor quantum wells
Superconducting materials
Topology
Angle resolved photoemission spectroscopy
Continuous energy
Density functional theory simulations
Discrete energy levels
Electronic.structure
Motion of electrons
Spectroscopy measurements
Structures and properties
Surface electronic structures
Two-dimensional
Comprehensive Study of Oxygen Vacancies on the Catalytic Performance of ZnO for CO/H2 Activation Using Machine Learning-Accelerated First-Principles Simulations
期刊论文
ACS CATALYSIS, 2023, 卷号: 13, 期号: 8, 页码: 5104-5113
作者:
Han, Yulan
;
Xu, Jiayan
;
Xie, Wenbo
;
Wang, Zhuozheng
;
Hu, P.
Adobe PDF(3927Kb)
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浏览/下载:295/0
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提交时间:2023/04/14
Catalysis
Catalysts
Chemical activation
Chemical bonds
Design for testability
Genetic algorithms
Global optimization
II-VI semiconductors
Learning algorithms
Machine learning
Oxygen vacancies
Synthesis gas
Zinc oxide
Zinc sulfide
Catalytic performance
Density-functional-theory
First-principles simulations
Global optimisation
Learning potential
Machine learning potential
Machine-learning
Oxides catalysts
Syn gas
Vacancy effects
Doping rh into tio2as a visible-light-responsive photocatalyst: The difference between rutile and anatase
期刊论文
APPLIED PHYSICS LETTERS, 2021, 卷号: 119, 期号: 21
作者:
Wang, Jiaming
;
Liu, Kaiwei
;
Zhang, Boyang
;
Qiu, Yaru
;
Xiang, Yao
Adobe PDF(3940Kb)
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浏览/下载:559/1
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提交时间:2021/12/17
Ascorbic acid
Crystal structure
Density functional theory
Doping (additives)
Light
Light absorption
Oxide minerals
Photocatalytic activity
Solar energy
Absorption edges
Calcinations process
Crystals structures
Density functional theory simulations
Formation energies
Rutile and anatase
Rutile samples
TiO 2
Visible-light irradiation
Visible-light responsive photocatalysts
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