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Performance Assessment of Ultrascaled Vacuum Gate Dielectric MoS Field-Effect Transistors: Avoiding Oxide Instabilities in Radiation Environments.
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High-Power Converter Systems (HLU), Technical University of Munich (TUM), 80333 Munich, Germany.
Gate dielectrics are essential components in nanoscale field-effect transistors (FETs), but they often face significant instabilities when exposed to harsh environments, such as radioactive conditions, leading to unreliable device performance. In this paper, we evaluate the performance of ultrascaled transition metal dichalcogenide (TMD) FETs equipped with vacuum gate dielectric (VGD) as a means to circumvent oxide-related instabilities. The nanodevice is computationally assessed using a quantum simulation approach based on the self-consistent solutions of the Poisson equation and the quantum transport equation under the ballistic transport regime.
View Article and Find Full Text PDFSelf-Consistent Determination of Single-Impurity Anderson Model Using Hybrid Quantum-Classical Approach on a Spin Quantum Simulator.
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Shenzhen Institute for Quantum Science and Engineering and Department of Physics, Southern University of Science and Technology, Shenzhen 518055, China.
The accurate determination of the electronic structure of strongly correlated materials using first principle methods is of paramount importance in condensed matter physics, computational chemistry, and material science. However, due to the exponential scaling of computational resources, incorporating such materials into classical computation frameworks becomes prohibitively expensive. In 2016, Bauer et al.
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Faculty of Electrical and Computer Engineering, Semnan University, Semnan, Iran.
Context: Photodetectors utilizing donor/acceptor (D/A) molecules have the capacity to detect light through molecular interactions between a donor and an acceptor molecule. These devices leverage electronic or optical changes within molecules when exposed to light, resulting in observable modifications. The unique properties of photodetectors with D/A molecules make them valuable tools in various fields, including molecular electronics.
View Article and Find Full Text PDFTensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: Theory, implementation, and role of the Green's function second-order exchange for intermolecular interactions.
J Chem Phys
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Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA.
We present an efficient MPI-parallel algorithm and its implementation for evaluating the self-consistent correlated second-order exchange term (SOX), which is employed as a correction to the fully self-consistent GW scheme called scGWSOX (GW plus the SOX term iterated to achieve full Green's function self-consistency). Due to the application of the tensor hypercontraction (THC) in our computational procedure, the scaling of the evaluation of scGWSOX is reduced from O(nτnAO5) to O(nτN2nAO2). This fully MPI-parallel and THC-adapted approach enabled us to conduct the largest fully self-consistent scGWSOX calculations with over 1100 atomic orbitals with only negligible errors attributed to THC fitting.
View Article and Find Full Text PDFSuperconductivity in CaH and ThH through fully ab initio Eliashberg method and self-consistent Green's function.
Sci Rep
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Deparment of Physics, Tohoku University, Sendai, 980-8578, Japan.
Pressurized hydrogen-based superconductors are phonon-mediated superconductors that exhibit high phonon frequencies. In these superconductors, in addition to the density of states (DOS) at the Fermi energy ( ), the energy dependence of the DOS around becomes important for evaluating their transition temperature ( ). Systems with peak structures in the DOS around , such as H S and LaH , highlight this point.
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