Publications related to Zone axis

Molecular intercalation in the van der Waals antiferromagnets FePS3 and NiPS3

Bruce Normand, Ying Chen, Sheng Xu, Shuo Li, Xiaoyu Xu, Zeyu Wang, Weiqiang Yu

We have performed electrochemical treatment of the van der Waals antiferromagnetic materials FePS3 and NiPS3 with the ionic liquid EMIM-BF4, achieving significant molecular intercalation. Mass analysis of the intercalated compounds, EMIMx-FePS3 and EMIMx-N ...

Amer Physical Soc2024

Magneto-optical study of metamagnetic transitions in the antiferromagnetic phase of alpha-RuCl3

Zhe Wang

alpha-RuCl3 is a promising candidate material to realize the so far elusive quantum spin liquid ground state. However, at low temperatures, the coexistence of different exchange interactions couple the effective pseudospins into an antiferromagnetically zi ...

NATURE PORTFOLIO2022

Light emission properties of mechanical exfoliation induced extended defects in hexagonal boron nitride flakes

Anna Fontcuberta i Morral, Nicolas Tappy

Recently, hexagonal boron nitride (hBN) has become an interesting platform for quantum optics due to its peculiar defect-related luminescence properties. Concomitantly, hBN was established as the ideal insulating support for realizing 2D materials devices, ...

IOP Publishing Ltd2022

Hot rocks: Constraining the thermal conditions of the Mistastin Lake impact melt deposits using zircon grain microstructures

Cyril Cayron

The production of superheated melt during hypervelocity impact events has been proposed to be a common occurrence on terrestrial planetary bodies. Recent direct evidence of superheated impact melt temperatures exceeding > 2370 degrees C from the Kamestasti ...

ELSEVIER2022

A fast algorithm to find reduced hyperplane unit cells and solve N-dimensional Bezout's identities

Cyril Cayron

Deformation twinning on a plane is a simple shear that transforms a unit cell attached to the plane into another unit cell equivalent by mirror symmetry or 180 degrees rotation. Thus, crystallographic models of twinning require the determination of the sho ...

INT UNION CRYSTALLOGRAPHY2021

Structural characterization and magnetic properties of chromium jarosite KCr3(OD)(6)(SO4)(2)

Sofie Janas

Potassium chromium jarosite, KCr3(OH)(6)(SO4)(2) (Cr-jarosite), is considered a promising candidate to display spin liquid behavior due to the strong magnetic frustration imposed by the crystal structure. However, the ground state magnetic properties have ...

ROYAL SOC CHEMISTRY2020

Observation of two independent skyrmion phases in a chiral magnetic material

Helmuth Berger

Magnetic materials can host skyrmions, which are topologically non-trivial spin textures. In chiral magnets with cubic lattice symmetry, all previously observed skyrmion phases require thermal fluctuations to become thermodynamically stable in bulk materia ...

2018

Cyanine platelet single crystals: growth, crystal structure and optical spectra

Frank Nüesch, Jakob Heier, Antonia Neels

Crystalline organic semiconducting materials are much in demand for multiple electronic and optoelectronic device applications. Here, solution grown ultrathin rhombic crystals of a trimethine carbocyanine anionic dye are used to establish relationships bet ...

Royal Society of Chemistry2018

Cast aluminium single crystals cross the threshold from bulk to size-dependent stochastic plasticity

Andreas Mortensen, William Curtin, Csilla Mikó, Jérôme Krebs, Suzanne Godelieve Alphonsine Verheyden, Satish I Rao

Metals are known to exhibit mechanical behaviour at the nanoscale different to bulk samples. This transition typically initiates at the micrometre scale, yet existing techniques to produce micrometre-sized samples often introduce artefacts that can influen ...

Nature Publishing Group2017

Parametric Experimental Study and Design of Experiment Modelling of Sapphire Grinding

Daniel Sage

This study investigates and models the grinding process of single crystal sapphire. Five parameters: the wheel speed, the feed speed, the vertical feed, the ultrasonic assistance and the crystallographic direction were considered via a design of experiment ...

Elsevier2017

Zinc blende-wurtzite polytypism in nanocrystalline ZnO films

Christophe Ballif, Aïcha Hessler-Wyser, Cécile Hébert, Sylvain Nicolay, Duncan Thomas Lindsay Alexander, Lorenzo Fanni, Arthur Brian Aebersold

ZnO is commonly observed and assumed to crystallize fully in a wurtzite structure. Indeed, While polytypism between a wurtzite and a zinc blende phase is often seen in some II-VI compounds, it has only rarely been observed in ZnO. Here, by means of automat ...

Elsevier2017

Band structure diagram paths based on crystallography

Giovanni Pizzi

Systematic and automatic calculations of the electronic band structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal structure together wi ...

Elsevier2017

Dirac fermions at high-index surfaces of bismuth chalcogenide topological insulator nanostructures

Oleg Yazyev, Naunidh Singh Virk

Binary bismuth chalcogenides Bi2Se3, Bi2Te3, and related materials are currently being extensively investigated as the reference topological insulators (TIs) due to their simple surface-state band dispersion (single Dirac cone) and relatively large bulk ba ...

Nature Research2016

Pressure-tuned Transport Properties of Novel Iron-based Superconductors and Topological Insulators

Andrea Pisoni

The majority of interactions in solids strongly depend on the interatomic distances. The application of pressure changes the lattice parameters and modifies the electronic and the phononic energy spectra of a material avoiding some of the undesirable effec ...

EPFL2016

Energetics and thermodynamics of α-iron from first-principles and machine-learning potentials

Daniele Dragoni

Iron is a material of fundamental importance in the industrial and economic processes of our society as it is the major constituent of steels. With advances in computational science, much progress has been made in the understanding of the microscopic mecha ...

EPFL2016

Thermal induced structural properties of silver(I) sulphate (Ag2SO4)

Philip Pattison

The crystal structures of silver(I) sulphate, Ag2SO4, have been investigated as a function of temperature. A main feature is the phase transition from the low-temperature ordered phase, F ddd, to the high-temperature disordered phase, P63/mmc. In particula ...

Wiley-Blackwell2016

RANS computations of tip vortex cavitation

Mohamed Farhat, Matthieu Dreyer

Some two-dimensional (2D) exfoliated zeolites are single- or near single-unit cell thick silicates that can function as molecular sieves. Although they have already found uses as catalysts, adsorbents and membranes precise determination of their thickness ...

Institute of Physics2015

Investigation of crack tip dislocation emission in aluminum using multiscale molecular dynamics simulation and continuum modeling

William Curtin, Derek Warner

This work investigates the dislocation nucleation processes that occur at the tip of a crack in aluminum under a broad range of crystallographic orientations and temperatures. A concurrent multiscale molecular dynamics - continuum simulation framework is e ...

Elsevier2014

Coexistence of localized and collective magnetism in the coupled-spin-tetrahedra system Cu4Te5O12C14

Helmuth Berger

We report high-field magnetization, electron spin resonance (ESR), and Raman scattering measurements of the coupled spin-tetrahedra system Cu4Te5O12C14 with magnetic ordering at T-N = 13.6 K. We find thermodynamic and spectroscopic signatures for the conco ...

Amer Physical Soc2014

Plasticity in bcc single crystals investigated by Laue diffraction during micro-compression

Cécile Renée Maria Marichal

Body-centered cubic metals are of high technological interest: for example tungsten as potential plasma facing component in future fusion reactors, molybdenum employed in aircraft parts, niobium as superconducting magnets, etc. The characteristics of their ...

EPFL2013