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We investigate the effect of charge carrier interaction with surface optical phonons on the band properties of monolayer black phosphorus induced by polar substrates. We develop an analytical method based on the Lee-Low-Pines theory to…

Mesoscale and Nanoscale Physics · Physics 2016-02-12 A. Mogulkoc , Y. Mogulkoc , A. N. Rudenko , M. I. Katsnelson

Relevant information about the nature of the dynamics of ions in electrolytes can be obtained by studying the nonlinear dependence on an applied electric field. Here we use molecular dynamics (MD) simulations to study the field effects for…

Soft Condensed Matter · Physics 2025-03-21 Alina Wettstein , Diddo Diddens , Andreas Heuer

Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate…

Materials Science · Physics 2017-05-05 Elena Kubyshkina , Mikael Unge , B. L. G. Jonsson

The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first principles calcula- tions within the framework of density…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Deniz Cakir , Cem Sevik , Francois M. Peeters

Recently two-dimensional (2D) transition metal carbides and nitrides (MXenes) have gained significant attention in electronics and electrochemical energy conversion and storage devices where the heat production significantly affects the…

Materials Science · Physics 2019-10-22 Hamed Gholivand , Shadi Fuladi , Zahra Hemmat , Amin Salehi-Khojin , Fatemeh Khalili-Araghi

We report the realization of field-effect transistors (FETs) made with chemically synthesized multilayer 2D crystal semiconductor MoS2. Electrical properties such as the FET mobility, subthreshold swing, on/off ratio, and contact resistance…

Mesoscale and Nanoscale Physics · Physics 2015-01-30 Wan Sik Hwang , Maja Remskar , Rusen Yan , Tom Kosel , Jong Kyung Park , Byung Jin Cho , Wilfried Haensch , Huili , Xing , Alan Seabaugh , Debdeep Jena

The objective of this work is to study the effects of charge redistribution, applied layer-normal electric fields, applied strain, and layer engineering on the band alignment of Black Phosphorus (BP)/Molybdenum disulphide (MoS2)…

Materials Science · Physics 2022-12-28 Nupur Navlakha , Priyamvada Jadaun , Leonard F. Register , Sanjay K. Banerjee

The study of subtle effects on transport in semiconductors requires high-quality epitaxial structures with low defect density. Using hybrid molecular beam epitaxy (MBE), SrTiO$_3$ films with low-temperature mobility exceeding 42,000…

Although strong modulation of interfacial electron concentrations by the relative acidity of surface additives has been suggested, direct observation of corresponding changes in surface conductivity, crucial for understanding the role of…

Materials Science · Physics 2025-05-21 Gyu Rac Lee , Thomas Defferriere , Jinwook Kim , Han Gil Seo , Yeon Sik Jung , Harry L. Tuller

The performance and scalability of two-dimensional (2D) field-effect transistors (FETs) are strongly influenced by geometry-defined electrostatics. In most 2D FET studies, the gate overlaps with the source and drain electrodes, allowing the…

Mesoscale and Nanoscale Physics · Physics 2025-11-14 Victoria M. Ravel , Sarah R. Evans , Samantha K. Holmes , James L. Doherty , Md Sazzadur Rahman , Tania Roy , Aaron D. Franklin

Ion mobility and ionic conductance in nanodevices are known to deviate from bulk behavior, a phenomenon often attributed to surface effects. We demonstrate that dielectric mismatch between the electrolyte and the surface can qualitatively…

Soft Condensed Matter · Physics 2018-09-17 Hanne S. Antila , Erik Luijten

The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…

Atomic layers of black phosphorus (P) isolated from its layered bulk make a new two-dimensional (2D) semiconducting crystal with sizable direct bandgap, high carrier mobility, and promises for 2D electronics and optoelectronics. However,…

Mesoscale and Nanoscale Physics · Physics 2023-05-03 Zenghui Wang , Arnob Islam , Rui Yang , Xu-Qian Zheng , Philip X. -L. Feng

The integration of transition metal dichalcogenides (TMDs) with ferroelectric substrates is a powerful strategy to modulate their electronic and optical properties. However, the use of relaxor ferroelectrics for this purpose remains…

Materials Science · Physics 2025-05-06 D. Hernández-Pinilla , D. Cachago , Y. A. Xia , G. López-Polín , M. O Ramírez , L. E. Bausá

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

Heat transfer in nanocomposite materials has attracted great interest for various applications. Multilayer structures provide an important platform to study interfacial thermal transport and to engineer materials with ultralow thermal…

We studied spin transport in four organic semiconductors (OSCs) with different electronic properties, with Fe and Co as the top and bottom ferromagnetic (FM) contacts, respectively. Magnetoresistance (MR) effects were observed up to room…

Materials Science · Physics 2012-05-14 Yaohua Liu , Taegweon Lee , Howard E. Katz , Daniel H. Reich

Despite the widespread use of solution-processable hybrid organic-inorganic perovskites in photovoltaic and light-emitting applications, determination of their intrinsic charge transport parameters has been elusive due to the variability of…

Materials Science · Physics 2019-06-26 Xin Yu Chin , Daniele Cortecchia , Jun Yin , Annalisa Bruno , Cesare Soci

The effects of surface polar phonons on electronic transport properties of monolayer graphene are studied by using a Monte Carlo simulation. Specifically, the low-field electron mobility and saturation velocity are examined for different…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 X. Li , E. A. Barry , J. M. Zavada , M. Buongiorno Nardelli , K. W. Kim

Ultra-thin MoS2 has recently emerged as a promising two-dimensional semiconductor for electronic and optoelectronic applications. Here, we report high mobility (>60 cm2/Vs at room temperature) field-effect transistors that employ…