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We carry out a first-principles density functional study of the interaction between a monatomic Pt wire and a CO molecule, comparing the energy of different adsorption configurations (bridge, on top, substitutional, and tilted bridge) and…

Materials Science · Physics 2013-01-25 G. Sclauzero , A. Dal Corso , A. Smogunov , E. Tosatti

Excitonic condensate has been long-sought within bulk indirect-gap semiconductors, quantum wells, and 2D material layers, all tried as carrying media. Here we propose intrinsically stable 2D semiconductor heterostructures with…

Mesoscale and Nanoscale Physics · Physics 2020-06-17 Sunny Gupta , Alex Kutana , Boris I. Yakobson

Flexible electronics are attracting attention due to the increasing demand for lightweight, bendable devices that can conform to various surfaces, including human skin. Although indium tin oxide (ITO) is widely used for electrical…

Materials Science · Physics 2024-12-05 Sherjeel Mahmood Baig , Hideki Abe

Given a real dataset and a computation family, we wish to encode and store the dataset in a distributed system so that any computation from the family can be performed by accessing a small number of nodes. In this work, we focus on the…

Information Theory · Computer Science 2024-05-10 Vinayak Ramkumar , Netanel Raviv , Itzhak Tamo

Honeycomb structure has been frequently observed in two-dimensional (2D) materials. CuAu in the buckled honeycomb (BHC) structure has been synthesized recently, which is the first case of 2D intermetallic compounds. Here, the dynamical…

Materials Science · Physics 2021-08-26 Shota Ono

Nanostructured and architectured copper niobium composite wires are excellent candidates for the generation of intense pulsed magnetic fields (>90T) as they combine both high strength and high electrical conductivity. Multi-scaled Cu-Nb…

Materials Science · Physics 2017-08-07 T. Gu , O. Castelnau , S. Forest , E. Hervé-Luanco , F. Lecouturier , H. Proudhon , L. Thilly

Searching for efficient and high-performance cathode materials for rechargeable magnesium ion batteries (RMBs) is urgent for exploring sustainable energy technologies. However, the majority of cathode materials for RMBs usually suffer from…

Materials Science · Physics 2021-01-12 Qin Zhang , Yaobo Hu , Jun Wang , Yuanxiao Dai , Fusheng Pan

We present a real-space formulation for calculating the electronic structure and optical conductivity of such random alloys based on the Kubo-Greenwood formalism interfaced with the augmented space recursion (ASR) [A. Mookerjee, J. Phys. C:…

The quantum metric is a central quantity of band theory but has so far not been related to many response coefficients due to its nonclassical origin. However, within a newly developed Kubo formalism for fast relaxation, the decomposition of…

Mesoscale and Nanoscale Physics · Physics 2022-03-02 Johannes Mitscherling , Tobias Holder

Selecting materials for hybrid cathodes for batteries, which combine intercalation and conversion materials, has gained interest due to their unique synergistic properties, which are not achievable by homogeneous materials. Here, we present…

Materials Science · Physics 2024-10-28 Ahmed H. Biby , Benjamin S. Rich , Charles B. Musgrave

Cycling efficiency and rate capability of porous copper-coated, amorphous silicon thin-film negative electrodes are compared to equivalent silicon thin-film electrodes in lithium-ion batteries. The presence of a copper layer coated on the…

Materials Science · Physics 2011-08-02 Vijay A. Sethuraman , Kristin Kowolik , Venkat Srinivasan

We have looked into cobalt disilicide (CoSi$_2$) as a potential building block for superconducting quantum circuits. In order to achieve this, we annealed a thin layer of Co to create 10-105 nm thick microwave cavities from CoSi$_2$…

The recent, rapid advances in nonlinear chipscale nanophotonics in the visible and near-infrared have been largely driven by manipulating the local dielectric environment proximate to decades-old workhorse bulk nonlinear optical materials,…

AB5 compounds (A = rare earth, B = transition metal) have been widely studied as anodes for Ni-MH applications. However, they have reached their technical limitations and the search for new promising materials with high capacity is…

The synthesis conditions of SrTiO$_3$(Co) samples in which cobalt predominantly enters the $A$ or $B$ sites of the perovskite $AB$O$_3$ structure are found. EXAFS studies show that the Co impurity at the $A$ site is off-center and is…

Materials Science · Physics 2019-12-24 I. A. Sluchinskaya , A. I. Lebedev

Nodal line semimetals are characterized by symmetry-protected band crossing lines and are expected to exhibit nontrivial electronic properties. Connections of the multiple nodal lines, resulting in nodal nets, chains, or links, are…

Mesoscale and Nanoscale Physics · Physics 2018-10-10 Ding-Fu Shao , Shu-Hui Zhang , Xiaoqian Dang , Evgeny Y. Tsymbal

Modern cellular networks in traditional frequency bands are notoriously interference-limited especially in urban areas, where base stations are deployed in close proximity to one another. The latest releases of Long Term Evolution (LTE)…

Information Theory · Computer Science 2016-11-15 George C. Alexandropoulos , Paul Ferrand , Jean-Marie Gorce , Constantinos B. Papadias

The miniaturization of electronic devices brings severe challenges in the deposition of metal interconnects in back end of line processing due to a continually decreasing volume available for metal deposition in the interconnect via. Cu is…

Materials Science · Physics 2025-09-01 Samuel Aldana , Cara-Lena Nies , Michael Nolan

Monatomic and molecular hydrogen and also oxygen, as well as water molecules and OH that are exposed to atomic copper in intimate contact have been studied theoretically using computational methods. The authors optimized moderately large…

Chemical Physics · Physics 2019-01-10 Firuz Demir , Kevin Dean

Polycrystalline samples of Z-type hexaferrites, having nominal compositions $\mathrm{Ba_3Co_{2+x}Fe_{24-2x}M_xO_{41}}$ where M = $\mathrm{Ir^{4+}, Hf^{4+}, Mo^{4+}}$ and x=0 and 0.05, were processed via ceramic processing protocols in…

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