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The paper reports on a theoretical description of work function of TiN, which is one of the most used materials for the realization of electrodes and gates in CMOS devices. Indeed, although the work function is a fundamental quantity in…

Materials Science · Physics 2021-02-18 Arrigo Calzolari , Alessandra Catellani

The gate defect of the ferroelectric HfO$_2$-based Si field-effect transistor (Si FeFET) plays a dominant role in its reliability issue. The first-principles calculations are an effective method for the atomic-scale understanding of gate…

The ab initio $GW$ method is considered as the most accurate approach for calculating the band gaps of semiconductors and insulators. Yet its application to transition metal oxides (TMOs) has been hindered by the failure of traditional…

Materials Science · Physics 2017-02-08 Georgy Samsonidze , Cheol-Hwan Park , Boris Kozinsky

Recent discovery of bulk insulating topological insulator (TI) Bi2-xSbxTe3-ySey paved a pathway toward practical device application of TIs. For realizing TI-based devices, it is necessary to contact TIs with a metal. Since the band-bending…

Mesoscale and Nanoscale Physics · Physics 2016-09-21 Daichi Takane , Seigo Souma , Takafumi Sato , Takashi Takahashi , Kouji Segawa , Yoichi Ando

In this work, the transport of tunnel field-effect transistor (TFET) based on vertically stacked hereto-structures from 2D transition metal dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. WTe2-MoS2…

Materials Science · Physics 2017-09-13 Fan Chen , Hesameddin Ilatikhameneh , Yaohua Tan , Daniel Valencia , Gerhard Klimeck , Rajib Rahman

While 2D materials have enormous potential for future device technologies, many challenges must be overcome before they can be deployed at an industrial scale. One of these challenges is identifying the right semiconductor/insulator…

The design of a 1 micrometer gate length depletion-mode InSb quantum-well field-effect transistor (QWFET) with a 10 nm-thick Al2O3 gate dielectric has been optimized using a quantum corrected self-consistent Schrodinger-Poisson (QCSP) and…

Mesoscale and Nanoscale Physics · Physics 2016-06-28 R. Islam , M. M. Uddin , M. Mofazzal Hossain , M. B. Santos , M. A. Matin , Y. Hirayama

Charge or spin-qubits can be realized by using gate-defined quantum dots (QDs) in semiconductors in a similar fashion to the processes used in CMOS for conventional field-effect transistors or more recent fin FET technology. However, to…

Mesoscale and Nanoscale Physics · Physics 2025-02-07 Sinan Bugu , Sheshank Biradar , Alan Blake , CheWee Liu , Maksym Myronovd , Ray Duffy , Giorgos Fagas , Nikolay Petkov

Topological insulator field-effect transistors (TIFETs) built on 2-D quantum spin Hall insulators are being considered as advanced logic transistors due to their potentially superior performance originating from the dissipationless edge…

Mesoscale and Nanoscale Physics · Physics 2026-03-17 Yungyeong Park , Yosep Park , Hyeonseok Choi , Subeen Lim , Dongwook Kim , Yeonghun Lee

We combine the linearized Boltzmann Transport Equation (LBTE) and quantum transport by means of the Non-equilibrium Green's Functions (NEGF) to simulate single-layer MoS2 and WS2 ultra-scaled transistors with carrier mobilities extracted…

Mesoscale and Nanoscale Physics · Physics 2020-10-13 Youseung Lee , Sara Fiore , Mathieu Luisier

The effective work-function of metal electrode is one of the major factors to determine the threshold voltage of metal/oxide/semiconductor junction. In this work, we demonstrate experimentally that the effective work-function of Aluminum…

Mesoscale and Nanoscale Physics · Physics 2025-09-16 Wonho Song , Jung-Yong Lee , Junhyung Kim , Jinyoung Park , Jaehyeong Jo , Eunseok Hyun , Jiwan Kim , Daejin Eom , Gahyun Choi , Kibog Park

This work reports the design and analysis of an n-type tunneling field effect transistor based on InN. The tunneling current is evaluated from the fundamental principles of quantum mechanical tunneling and semiclassical carrier transport.…

Materials Science · Physics 2014-01-03 Krishnendu Ghosh , Uttam Singisetti

Atomically thin semiconducting MoS2 is of great interest for high-performance flexible electronic and optoelectronic devices. Initial measurements using back-gated field-effect transistor (FET) structures on SiO2 yielded mobility of 1-50…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Michael S. Fuhrer , James Hone

We introduce a computational framework (InterMat) to predict band offsets of semiconductor interfaces using density functional theory (DFT) and graph neural networks (GNN). As a first step, we benchmark OptB88vdW generalized gradient…

Materials Science · Physics 2024-05-28 Kamal Choudhary , Kevin Garrity

Band offsets at semiconductor-oxide interfaces are determined through a scheme based on hybrid density functionals, which incorporate a fraction $\alpha$ of Hartree-Fock exchange. For each bulk component, the fraction $\alpha$ is tuned to…

Materials Science · Physics 2008-09-19 Audrius Alkauskas , Peter Broqvist , Fabien Devynck , Alfredo Pasquarello

We present a novel technique for calculating the dielectric response of metal/insulator heterostructures. This scheme allows, for the first time, the fully first-principles calculation of the microscopic properties of thin-film capacitors…

Materials Science · Physics 2011-03-03 M. Stengel , N. A. Spaldin

We formulate an efficient scheme to perform Migdal-Eliashberg calculation considering the retardation effect from first principles. While the conventional approach requires a huge number of Matsubara frequencies, we show that the…

TiO2 ferroelectric field effect transistors (FeFETs) with HfZrO2 (HZO) ferroelectric dielectric layers and bottom gate topology are fabricated for applications in neuromorphic systems. Two sets of devices are fabricated with different gate…

Applied Physics · Physics 2026-05-21 Chandan Samanta , Elia Palmese , Ziyu Ouyang , Tuofu Zhama , Robinson Pino , Yuping Zeng

As the size of transistors shrinks and power density increases, thermal simulation has become an indispensable part of the device design procedure. However, existing works for advanced technology transistors use simplified empirical models…

Materials Science · Physics 2025-05-13 Han Xie , Ru Jia , Yonglin Xia , Lei Li , Yue Hu , Jiaxuan Xu , Yufei Sheng , Yuanyuan Wang , Hua Bao

Since the 1960's when Gordon Moore proposed that the transistor density in our electronic devices should double every two years while the cost is halved, the semiconductor industry has taken this statement to heart. Over the last few…

Materials Science · Physics 2022-07-27 Aditya Muralidharan
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