Publications (12)
Prediction of Hot Zone-center Optical Phonons in Laser Irradiated Molybdenum Disulfide with a Semiconductor Multitemperature Model
Zherui Han, Peter Sokalski, Li Shi +1
Previous multitemperature model (MTM) resolving phonon temperatures at the polarization level and measurements have uncovered remarkable nonequilibrium among different phonon polar…
Effects of hot phonons and thermal stress in micro-Raman spectra of molybdenum disulphide
Peter Sokalski, Zherui Han, Gabriella Coloyan Fleming +5
Micro-Raman spectroscopy has become an important tool in probing thermophysical behavior in emerging functional materials such as two-dimensional (2D) layered structures. Localized…
FOS: A fully integrated open-source program for Fast Optical Spectrum calculations of nanoparticle media
Daniel Carne, Joseph Peoples, Ziqi Guo +4
FOS, which means light in Greek, is an open-source program for Fast Optical Spectrum calculations of nanoparticle media. This program takes the material properties and a descriptio…
Anisotropic Anharmonicity Dictates the Thermal Conductivity of Gallium Oxide ()
Abdulaziz Alkandari, Zherui Han, Ziqi Guo +2
is a promising material candidate for next-generation high power devices even as its low thermal conductivity () limits utilization due to an inability to sufficie…
FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
Zherui Han, Xiaolong Yang, Wu Li +2
FourPhonon is a computational package that can calculate four-phonon scattering rates in crystals. It is built within ShengBTE framework, which is a well-recognized lattice thermal…
Predictions and Measurements of Thermal Conductivity of Ceramic Materials at High Temperature
Zherui Han, Zixin Xiong, William T. Riffe +8
The lattice thermal conductivity () of two ceramic materials, cerium dioxide (CeO) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon…
Is Thermal Conductivity of Graphene Divergent and Higher Than Diamond?
Zherui Han, Xiulin Ruan
The thermal conductivity of monolayer graphene is an outstanding challenge with no consensus reached on its exact value and length convergence so far. We consider four-phonon scatt…
Temperature-Dependent Full Spectrum Optical Responses of Semiconductors from First Principles
Zherui Han, Changkyun Lee, Jiawei Song +3
From ultraviolet to mid-infrared region, light-matter interaction mechanisms in semiconductors progressively shift from electronic transitions to phononic resonances and are affect…
Sampling-accelerated First-principles Prediction of Phonon Scattering Rates for Converged Thermal Conductivity and Radiative Properties
Ziqi Guo, Zherui Han, Dudong Feng +2
First-principles prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohi…
Four phonon-dominated near-field radiation in weakly anharmonic polar materials
Dudong Feng, Xiaolong Yang, Zherui Han +1
Inelastic scattering processes typically introduce friction among carriers and reduce the transport properties of photons, phonons, and electrons. However, we predict that in contr…
Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene
Zherui Han, Xiaolong Yang, Sean E. Sullivan +4
The Raman peak position and linewidth provide insight into phonon anharmonicity and electron-phonon interactions (EPI) in materials. For monolayer graphene, prior first-principles…
How to Identify Suitable Gate Dielectrics for Transistors based on Two-Dimensional Semiconductors
Theresia Knobloch, Quentin Smets, Anton E. O. Persson +23
The recent progress in nanosheet transistors has established two-dimensional (2D) semiconductors as viable candidates for future ultra-scaled electronic devices. Next to reducing c…