Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- The Ohio State UniversityUS2.4k papers
- Wayne State UniversityUS2.3k papers
- University of RochesterUS2.2k papers
- Carnegie Mellon UniversityUS2.1k papers
- Texas A&M UniversityUS2.1k papers
- Massachusetts Institute of TechnologyUS2.1k papers
- University of California, Los AngelesUS2.1k papers
- University of California, DavisUS2.1k papers
- University of FloridaUS2k papers
- Fermi National Accelerator LaboratoryUS2k papers
- Joint Institute for Nuclear ResearchRU1.9k papers
- Centre National de la Recherche ScientifiqueFR1.9k papers
18 papers · 2 filters
Coupling between Phonon-Phonon and Phonon-Impurity Scattering: A Critical Revisit of the Spectral Matthiessen's Rule
Tianli Feng, Bo Qiu, Xiulin Ruan
The spectral Matthiessen's rule is commonly used to calculate the total phonon scattering rate when multiple scattering mechanisms exist. Here we predict the spectral phonon relaxa…
High-performance Thermal Interface Material Based on Few-layer Graphene Composite
Wonjun Park, Yufen Guo, Xiangyu Li +4
We developed high-performance thermal interface materials (TIMs) based on few-layer graphene (FLG) composite, where FLG was prepared by the interlayer catalytic exfoliation (ICE) m…
Nanosecond Phase Transition Dynamics in Compressively Strained Epitaxial BiFeO3
Margaret P. Cosgriff, Pice Chen, Sung Su Lee +11
A highly strained BiFeO3 (BFO) thin film is transformed between phases with distinct structures and properties by nanosecond-duration applied electric field pulses. Time-resolved s…
Using atom probe tomography to understand Schottky barrier height pinning at the ZnO:Al / SiO2 / Si interface
R. Jaramillo, Amanda Youssef, Austin Akey +3
We use electronic transport and atom probe tomography to study ZnO:Al / SiO2 / Si Schottky junctions on lightly-doped n- and p-type Si. We vary the carrier concentration in the the…
The thermal and electrical properties of the promising semiconductor MXene Hf2CO2
Xian-Hu Zha, Qing Huang, Jian He +5
In this work, we investigate the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes using first-principles calculations. Hf2CO2 is found to ex…
Strain-induced energy band gap opening in two-dimensional bilayered silicon film
Zhonghang Ji, Ruiping Zhou, Lok C. Lew Yan Voon +1
This work presents a theoretical study of the structural and electronic properties of bilayered silicon films under in-plane biaxial strain/stress using density functional theory.…
Büttiker probes for dissipative phonon quantum transport in semiconductor nanostructures
K. Miao, S. Sadasivam, J. Charles +3
Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and inco…
Magneto-Infrared Spectroscopic Study of Ultrathin BiTe Single Crystals
L. -C. Tung, W. Yu, P. Cadden-Zimansky +4
Ultrathin BiTe single crystals laid on Scotch tape are investigated by Fourier transform infrared spectroscopy at K and in a magnetic field up to T. The magneto-…
Surface Passivation in Empirical Tight Binding
Yu He, Yaohua Tan, Zhengping Jiang +3
Empirical Tight Binding (TB) methods are widely used in atomistic device simulations. Existing TB methods to passivate dangling bonds fall into two categories: 1) Method that expli…
Shear Wave Filtering in Naturally-Occurring Bouligand Structures
Nicolás Guarín-Zapata, Juan Gomez, Nick Yaraghi +2
Wave propagation was investigated in the Bouligand-like structure from within the dactyl club of the Stomatopod, a crustacean that is known to smash their heavily shelled preys wit…
In-surface confinement of topological insulator nanowire surface states
Fan W. Chen, Luis A. Jauregui, Yaohua Tan +4
The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assum…
Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation
Sharmila N. Shirodkar, Umesh V. Waghmare, Timothy S. Fisher +1
Modification of graphene to open a robust gap in its electronic spectrum is essential for its use in field effect transistors and photochemistry applications. Inspired by recent ex…
Voltage equilibration for reactive atomistic simulations of electrochemical processes
Nicolas Onofrio, Alejandro Strachan
We introduce EChemDID, a model to describe electrochemical driving force in reactive molecular dynamics simulations. The method describes the equilibration of external electrochemi…
Towards High-Performance Two-Dimensional Black Phosphorus Optoelectronic Devices: the Role of Metal Contacts
Yexin Deng, Nathan J. Conrad, Zhe Luo +3
The metal contacts on 2D black phosphorus field-effect transistor and photodetectors are studied. The metal work functions can significantly impact the Schottky barrier at the meta…
Tight binding analysis of Si and GaAs ultra thin bodies with subatomic resolution
Yaohua P. Tan, Michael Povolotsky, Tillmann Kubis +2
Empirical tight binding(ETB) methods are widely used in atomistic device simulations. Traditional ways of generating the ETB parameters rely on direct fitting to bulk experiments o…
Stability and Migration of Small Copper Clusters in Amorphous Dielectrics
David M. Guzman, Nicolas Onofrio, Alejandro Strachan
We use density functional theory (DFT) to study the thermodynamic stability and migration of copper ions and small clusters embedded in amorphous silicon dioxide. We perform the ca…
Mesoscale simulations of shockwave energy dissipation via chemical reactions
Edwin Antillon, Alejandro Strachan
We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reac…
Electron-Phonon Coupling and Thermal Conductance at a Metal-Semiconductor Interface: First-principles Analysis
Sridhar Sadasivam, Umesh V. Waghmare, Timothy S. Fisher
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature.…