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Chiral perovskites are emerging semiconducting materials with broken symmetry that can selectively absorb and emit circularly polarized light. However, most of the chiral perovskites are typically low-dimensional structures with limited…

The electrical and optical response of a field-effect device comprising a network of semiconductor-enriched single-wall carbon nanotubes, gated with sodium chloride solution is investigated. Field-effect is demonstrated in a device that…

Mesoscale and Nanoscale Physics · Physics 2010-09-24 Manu Jaiswal , C. S. Suchand Sangeeth , Wei Wang , Ya-Ping Sun , Reghu Menon

A model is derived for the frequency- and time-domain opto-electronic response of perovskite solar cells (PSCs) that emphasizes the role of charge carrier exchange, .i.e. extraction and injection, from (to) the perovskite through the…

Materials Science · Physics 2023-11-10 Sandheep Ravishankar , Zhifa Liu , Yueming Wang , Thomas Kirchartz , Uwe Rau

Halide perovskites are promising semiconductors for inexpensive, high-performance optoelectronics. Despite a remarkable defect tolerance compared to conventional semiconductors, perovskite thin films still show substantial microscale…

The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density functional theory is used to calculate the electronic and…

Materials Science · Physics 2013-11-15 Y. Saeed , K. Zhao , N. Singh , R. Li , J. E. Anthony , A. Amassian , U. Schwingenschlögl

Perovskite materials have become ubiquitous in many technologically relevant applications, ranging from catalysts in solid oxide fuel cells to light absorbing layers in solar photovoltaics. The thermodynamic phase stability is a key…

Materials Science · Physics 2018-06-05 Wei Li , Ryan Jacobs , Dane Morgan

Among the transparent conducting oxides, the perovskite barium stannate is most promising for various electronic applications due to its outstanding carrier mobility achieved at room temperature. However, most of its important…

All inorganic halide perovskites offer promising optoelectronic properties at low cost, but their structural softness and thermal instability limit applications. Density functional theory using the FP-LAPW method (WIEN2k) was used to study…

Materials Science · Physics 2026-04-28 Sikander Azam , Asif Zaman , Qaiser Rafiq , Amin Ur Rahman , Saleem Ayaz Khan

There is a need for numerical models capable of predicting local accumulation of hydrogen near stress concentrators and crack tips to prevent and mitigate hydrogen assisted fracture in steels. The experimental characterisation of trapping…

Applied Physics · Physics 2020-10-27 A. Díaz , A. Zafra , E. Martínez-Pañeda , J. M. Alegre , J. Belzunce , I. I. Cuesta

Concatenation is a method of building long codes out of shorter ones, it attempts to meet the problem of decoding complexity by breaking the required computation into manageable segments. Concatenated Continuous Phase Frequency Shift Keying…

Information Theory · Computer Science 2011-05-24 Labib Francis Gergis

The phase field crystal (PFC) method has emerged as a promising technique for modeling materials with atomistic resolution on mesoscopic time scales. The approach is numerically much more efficient than classical density functional theory…

Materials Science · Physics 2015-05-18 Michael Greenwood , Nikolas Provatas , Jörg Rottler

Local domain structures of ferroelectrics have been studied extensively using various modes of scanning probes at the nanoscale, including piezoresponse force microscopy (PFM) and Kelvin probe force microscopy (KPFM), though none of these…

Materials Science · Physics 2017-09-20 Ehsan Nasr Esfahani , Xiaoyan Liu , Jiangyu Li

The analytical model of the small-signal current and capacitance characteristics of RF graphene FET is presented. The model is based on explicit distributions of chemical potential in graphene channels (including ambipolar conductivity at…

Mesoscale and Nanoscale Physics · Physics 2011-12-19 Gennady I. Zebrev , Alexander A. Tselykovskiy , Daria K. Batmanova , Evgeny V. Melnik

We determined the spin-transport properties of Pd and Pt thin films by measuring the increase in ferromagnetic resonance damping due to spin-pumping in ferromagnetic (FM)-nonferromagnetic metal (NM) multilayers with varying NM thicknesses.…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 C. T. Boone , J. M. Shaw , H. T. Nembach , T. J. Silva

The stability, electronic and optical properties of single-walled carbon nanotubes (CNTs) and graphene noncovalently functionalized with free-base tetraphenylporphyrin (TPP) molecules is addressed by density functional theory calculations,…

Materials Science · Physics 2015-06-11 Walter Orellana , J. D. Correa

By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…

Materials Science · Physics 2011-03-03 Massimiliano Stengel , David Vanderbilt , Nicola A. Spaldin

Density functional theory within the local or semilocal density approximations (DFT-LDA/GGA) has become a workhorse in electronic structure theory of solids, being extremely fast and reliable for energetics and structural properties, yet…

We present a methodology to mitigate the effect of the parasitic electrostatic contribution usually present in piezoresponse force microscopy (PFM) measurement for quantitative characterization of polycrystalline piezoelectric thin films…

The structural, electrical, optical, and mechanical characteristics of the lead-free halide double perovskites Cs2NaTlX6 X = F, Cl, Br are calculated by utilizing PBE functional within generalized gradient approximation GGA under the…

Materials Science · Physics 2023-02-07 Mohammed Mehedi Hasan , Nazmul Hasan , Alamgir Kabir

We investigate the magnetic-field-induced frequency shift (MFS) of the clock "0-0" transition in the microwave quantum frequency standard (atomic clock) based on coherent population trapping (CPT) in $^{87}$Rb vapor. To scan the CPT…

Atomic Physics · Physics 2025-04-28 V. I. Vishnyakov , D. V. Brazhnikov , M. N. Skvortsov