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Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…

Materials Science · Physics 2016-05-24 Peter Mahler Larsen , Søren Schmidt , Jakob Schiøtz

The electrical properties of thin TiO2 films have recently been extensively exploited towards enabling a variety for metal-oxide electron devices: unipolar/bipolar semiconductor devices and/or memristors. In such efforts, investigations on…

Applied Physics · Physics 2017-12-13 L. Michalas , A. Khiat , S. Stathopoulos , T. Prodromakis

Two decades after its introduction, laser-assisted Atom Probe Tomography (La-APT) has demonstrated a unique potential for the study of the 3D distribution of atomic species in semiconductor materials and devices, and in a growing list of…

Materials Science · Physics 2026-02-17 Enrico Di Russo , François Vurpillot , Lorenzo Rigutti

Modern scattering-type scanning near-field optical microscopy (s-SNOM) has become an indispensable tool in material research. However, as the s-SNOM technique marches into the far-infrared (IR) and terahertz (THz) regimes, emerging…

In recent years, optical and electronic properties of metal-organic frameworks (MOFs) have increasingly shifted into the focus of interest of the scientific community. Here, we discuss a strategy for conveniently tuning these properties…

Materials Science · Physics 2020-11-17 Giulia Nascimbeni , Christof Wöll , Egbert Zojer

Cross-sectional scanning tunneling microscopy was utilized to study fractured perovskie oxide surfaces. It was found for the non-cleavable perovskite oxide, SrTiO$_{3}$, that atomically flat terraces could be routinely created with a…

Mesoscale and Nanoscale Physics · Physics 2010-07-07 TeYu Chien , Nathan P. Guisinger , John W. Freeland

Scanning tunnelling microscopy (STM) with a functionalized tip apex reveals the geometric and electronic structure of a sample within the same experiment. However, the complex nature of the signal makes images difficult to interpret and has…

Materials Science · Physics 2023-12-18 Lauri Kurki , Niko Oinonen , Adam S. Foster

We propose an imaging system and methodology for mapping soft-tissue samples in three dimensions, with micron-scale and isotropic spatial resolution, with low-concentrations as well as in the absence of heavy metal staining. We used hard…

Instrumentation and Detectors · Physics 2023-12-21 Michela Esposito , Nicole Schieber , Alessandro Olivo , Yannick Schwab , Marco Endrizzi

Metasurfaces represent a powerful paradigm of optical engineering that enables one to control the flow of light across material interfaces. We report on a discovery that metallic metasurfaces of a certain type respond differently to…

Optics · Physics 2019-11-12 T. Frank , O. Buchnev , T. Cookson , M. Kaczmarek , P. Lagoudakis , V. A. Fedotov

Magnetic complex-oxide heterostructures are of keen interest because a wealth of phenomena at the interface of dissimilar materials can give rise to fundamentally new physics and potentially valuable functionalities. Altered magnetization,…

Materials Science · Physics 2015-09-04 Yaohua Liu , Xianglin Ke

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid

The oxidation and corrosion of metals are fundamental problems in materials science and technology that have been studied using a large variety of experimental and computational techniques. Here we review some of the recent studies that…

Materials Science · Physics 2015-08-06 Chiara Gattinoni , Angelos Michaelides

Amorphous solids such as glass are ubiquitous in our daily life and have found broad applications ranging from window glass and solar cells to telecommunications and transformer cores. However, due to the lack of long-range order, the…

Metal nanoparticle surfaces comprise of multiple planes with various atomic arrangements that interact with gases differently1,2. Identification of gas adsorption properties on all facets is an essential prerequisite for rational design of…

Materials Science · Physics 2015-07-28 Pin Ann Lin , Jonathan Winterstein , John Kohoutek , Henri Lezec , Renu Sharma

Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science.…

Chemical Physics · Physics 2025-09-08 Ilyes Batatia , Philipp Benner , Yuan Chiang , Alin M. Elena , Dávid P. Kovács , Janosh Riebesell , Xavier R. Advincula , Mark Asta , Matthew Avaylon , William J. Baldwin , Fabian Berger , Noam Bernstein , Arghya Bhowmik , Filippo Bigi , Samuel M. Blau , Vlad Cărare , Michele Ceriotti , Sanggyu Chong , James P. Darby , Sandip De , Flaviano Della Pia , Volker L. Deringer , Rokas Elijošius , Zakariya El-Machachi , Fabio Falcioni , Edvin Fako , Andrea C. Ferrari , John L. A. Gardner , Mikolaj J. Gawkowski , Annalena Genreith-Schriever , Janine George , Rhys E. A. Goodall , Jonas Grandel , Clare P. Grey , Petr Grigorev , Shuang Han , Will Handley , Hendrik H. Heenen , Kersti Hermansson , Christian Holm , Cheuk Hin Ho , Stephan Hofmann , Jad Jaafar , Konstantin S. Jakob , Hyunwook Jung , Venkat Kapil , Aaron D. Kaplan , Nima Karimitari , James R. Kermode , Panagiotis Kourtis , Namu Kroupa , Jolla Kullgren , Matthew C. Kuner , Domantas Kuryla , Guoda Liepuoniute , Chen Lin , Johannes T. Margraf , Ioan-Bogdan Magdău , Angelos Michaelides , J. Harry Moore , Aakash A. Naik , Samuel P. Niblett , Sam Walton Norwood , Niamh O'Neill , Christoph Ortner , Kristin A. Persson , Karsten Reuter , Andrew S. Rosen , Louise A. M. Rosset , Lars L. Schaaf , Christoph Schran , Benjamin X. Shi , Eric Sivonxay , Tamás K. Stenczel , Viktor Svahn , Christopher Sutton , Thomas D. Swinburne , Jules Tilly , Cas van der Oord , Santiago Vargas , Eszter Varga-Umbrich , Tejs Vegge , Martin Vondrák , Yangshuai Wang , William C. Witt , Thomas Wolf , Fabian Zills , Gábor Csányi

Noncentrosymmetric metals such as Li$_2$(Pd$_{1-x}$Pt$_x$)$_3$B have different Fermi surface topology below and above the band touching point where spin-degeneracy is not lifted by the spin-orbit coupling. We investigate thermoelectric and…

Mesoscale and Nanoscale Physics · Physics 2019-07-17 Sonu Verma , Tutul Biswas , Tarun Kanti Ghosh

Progress in functional materials discovery has been accelerated by advances in high throughput materials synthesis and by the development of high-throughput computation. However, a complementary robust and high throughput structural…

Materials Science · Physics 2021-11-30 Jiadong Dan , Xiaoxu Zhao , Shoucong Ning , Jiong Lu , Kian Ping Loh , N. Duane Loh , Stephen J. Pennycook

Point defects in complex oxide thin films play a critical role in determining material properties but remain challenging to control with precision. This study introduces metal-organic pulsed laser deposition (MOPLD) as a novel synthesis…

Detecting a non-zero electric dipole moment (EDM) in a particle would unambiguously signify physics beyond the Standard Model. A potential pathway towards this is the detection of a nuclear Schiff moment, the magnitude of which is enhanced…

Angle resolved photoemission spectroscopy is used to observe changes in the electronic structure of bulk-doped topological insulator Cu$_x$Bi$_2$Se$_3$ as additional copper atoms are deposited onto the cleaved crystal surface. Carrier…

Superconductivity · Physics 2015-06-16 L. A. Wray , S. Xu , M. Neupane , A. V. Fedorov , Y. S. Hor , R. J. Cava , M. Z. Hasan
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