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One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two-dimensionally in the first few molecular layers near the dielectric interface.…

Mesoscale and Nanoscale Physics · Physics 2016-01-11 Yuhan Zhang , Jingsi Qiao , Si Gao , Fengrui Hu , Daowei He , Bing Wu , Ziyi Yang , Bingchen Xu , Yun Li , Yi Shi , Wei Ji , Peng Wang , Xiaoyong Wang , Min Xiao , Hangxun Xu , Jian-Bin Xu , Xinran Wang

We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…

Chemical Physics · Physics 2020-09-24 Junhan Chen , Zuxin Jin , Wenjie Dou , Joseph Subotnik

The ability to control single dopants in solid-state devices has opened the way towards reliable quantum computation schemes. In this perspective it is essential to understand the impact of interfaces and electric fields, inherent to…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 B. Voisin , J. Salfi , J. Bocquel , R. Rahman , S. Rogge

Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…

Silicon is a leading qubit platform thanks to the exceptional coherence times that can be achieved and to the available commercial manufacturing platform for integration. Building scalable quantum processing architectures relies on accurate…

Mesoscale and Nanoscale Physics · Physics 2021-07-21 B. Voisin , J. Salfi , R. Rahman , S. Rogge

A tight binding model for scanning tunneling microscopy images of a molecule adsorbed on a metal surface is described. The model is similar in spirit to that used to analyze conduction along molecular wires connecting two metal leads and…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Yoel Calev , Hezy Cohen , Gianaurelio Cuniberti , Abraham Nitzan , Danny Porath

In contrast to the static operations of conventional semiconductor devices, the dynamic conformational freedom in molecular devices opens up the possibility of using molecules as new types of devices such as a molecular conformational…

Mesoscale and Nanoscale Physics · Physics 2009-07-02 Daijiro Nozaki , Gianaurelio Cuniberti

The surface molecular doping of organic semiconductors can play an important role in the development of organic electronic or optoelectronic devices. Single-crystal rubrene remains a leading molecular candidate for applications in…

The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 R. Gutierrez , G. Fagas , K. Richter , F. Grossmann , R. Schmidt

Hyperdoped metastable sulfur atoms endow crystalline silicon with a strong sub-bandgap light absorption. In order to explore such metastable states, we develop a new high-throughput first-principles calculation method to search for all of…

Materials Science · Physics 2016-11-17 Ke-Fan Wang , Mingguo Liu , Yaping Ma , Zhenxiang Cheng , Yuanxu Wang , Xudong Xiao

The downscaling of silicon-based structures and proto-devices has now reached the single atom scale, representing an important milestone for the development of a silicon-based quantum computer. One especially notable platform for atomic…

Silicon has dominated the microelectronics industry for the last 50 years. With its zero nuclear spin isotope (28Si) and low spin orbit coupling, it is believed that silicon can become an excellent host material for an entirely new…

We propose a tunneling heterostructure by replacing one of the metal electrodes in a metal/ferroelectric/metal ferroelectric tunnel junction with a heavily doped semiconductor. In this metal/ferroelectric/semiconductor tunnel diode, both…

Materials Science · Physics 2013-05-22 Zheng Wen , Chen Li , Di Wu , Aidong Li , Naiben Ming

Electro-optic modulation performs a technological relevant functionality such as for communication, beam steering, or neuromorphic computing through providing the nonlinear activation function of a perceptron. Wile Silicon photonics enabled…

Many types of molecular motors have been proposed and synthesized in recent years, displaying different kinds of motion, and fueled by different driving forces such as light, heat, or chemical reactions. We propose a new type of molecular…

Mesoscale and Nanoscale Physics · Physics 2010-11-24 Johannes S. Seldenthuis , Ferry Prins , Joseph M. Thijssen , Herre S. J. van der Zant

Using a tight-binding model, we theoretically examine the anisotropic conductivity of the nodal line semimetal of a three-dimensional Dirac electron in a single-component molecular conductor [Pd(dddt)$_2$], which consists of four molecules…

Materials Science · Physics 2018-11-15 Yoshikazu Suzumura

State of the art quantum transport models for semiconductor nanodevices attribute negative (positive) unit charges to states of the conduction (valence) band. Hybrid states that enable band-to-band tunneling are subject to interpolation…

Applied Physics · Physics 2018-08-01 Yuanchen Chu , Prasad Sarangapani , James Charles , Gerhard Klimeck , Tillmann Kubis

For decades, semiconductors and their heterostructures have underpinned both fundamental and applied research across all areas of electronics. Two-dimensional, 2D (atomically thin) semiconductors have now the potential to push further the…

Introducing new components and functionalities into quantum devices is critical in advancing state-of-the-art hardware. Here, we propose superconducting diodes (SDs) as a coherent nonreciprocal element in circuit quantum electrodynamics…

Quantum Physics · Physics 2026-04-22 Nicolas Dirnegger , Prineha Narang , Arpit Arora

We present a theory of tunneling and resonant transitions in one-dimensional molecular systems which is based on Green's function theory of electron sub-barrier scattering off the structural units (or functional groups) of a molecular…

Other Condensed Matter · Physics 2007-05-23 I. I. Oleynik , M. A. Kozhushner , V. S. Posvyanskii
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