Publications related to Miller index

Bragg edge tomography characterization of additively manufactured 316L steel

Roland Logé, Christian Leinenbach, Nikola Kalentics, Markus Strobl, Efthymios Polatidis

In this work we perform a neutron Bragg edge tomography of stainless steel 316L additive manufacturing samples, one as built via standard laser powder bed fusion, and one using the novel three-dimensional (3D) laser shock peening technique. First, we consi ...

AMER PHYSICAL SOC2022

Low-Loss Anisotropic Image Polaritons in van der Waals Crystal alpha-MoO3

Sergejs Boroviks

Orthorhombic molybdenum trioxide (alpha-MoO3), a newly discovered polaritonic van der Waals crystal, is attracting significant attention due to its strongly anisotropic mid-infrared phonon-polaritons. At the same time, coupling of polariton with its mirror ...

WILEY-V C H VERLAG GMBH2022

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

Atomic scale symmetry and polar nanoclusters in the paraelectric phase of ferroelectric materials

Dragan Damjanovic, Emad Oveisi, Sina Hashemi Zadeh, Takuya Hoshina

The nature of the "forbidden" local- and long-range polar order in nominally nonpolar paraelectric phases of ferroelectric materials has been an open question since the discovery of ferroelectricity in oxide perovskites (ABO3). A currently considered model ...

Nature Research2021

What EBSD and TKD Tell Us about the Crystallography of the Martensitic B2-B19′ Transformation in NiTi Shape Memory Alloys

Cyril Cayron

The complex and intricate microstructure of B19′ martensite in shape memory nickel titanium alloys is generally explained with the Phenomenological Theory of Martensitic Crystallography (PTMC). Over the last decade, we have developed an alternative approac ...

2020

Inducing Magnetic Phase Transitions in Monolayer CrI3 via Lattice Deformations

Oleg Yazyev, Michele Pizzochero

Atomically thin films of layered chromium triiodide (CrI3) have recently been regarded as suitable candidates for a wide spectrum of technologically relevant applications, mainly owing to the opportunities they offer for achieving a reversible transition b ...

AMER CHEMICAL SOC2020

Complements to Mugge and Friedel's Theory of Twinning

Cyril Cayron

The crystallography of twinning is based on the concepts of simple shear and obliquity introduced by Mugge, Mallard and Friedel at the turn of the last century, with tensor mathematics later developed by Bilby, Bevis and Crocker in the 1960s. We propose a ...

2020

Anisotropic exchange Hamiltonian, magnetic phase diagram, and domain inversion of Nd2Zr2O7

We present thermodynamic and neutron-scattering measurements on the quantum spin ice candidate Nd2Zr2O7. The parametrization of the anisotropic exchange Hamiltonian is refined based on high-energyresolution inelastic neutron-scattering data together with t ...

2019

Unified picture of lattice instabilities in metallic transition metal dichalcogenides

Oleg Yazyev, Diego José Pasquier

Transition metal dichalcogenides (TMDs) in the 1T polymorph are subject to a rich variety of periodic lattice distortions, often referred to as charge-density waves (CDWs) when not too strong. We study from first principles the fermiology and phonon disper ...

AMER PHYSICAL SOC2019

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Berend Smit, Peter George Boyd, Senja Dominique Barthel, Matthew David Witman

Scientific interest in two-dimensional (2D) materials, ranging from graphene and other single layer materials to atomically thin crystals, is quickly increasing for a large variety of technological applications. While in silico design approaches have made ...

2018

Thermodynamic evidence of a second skyrmion lattice phase and tilted conical phase in Cu2OSeO3

Helmuth Berger

Precision measurements of the magnetization and ac susceptibility of Cu2OSeO3 are reported for magnetic fields along different crystallographic directions, focusing on the border between the conical and the field-polarized state for a magnetic field along ...

2018

Complex magnetic incommensurability and electronic charge transfer through the ferroelectric transition in multiferroic Co3TeO6

Helmuth Berger, Yang Zhao

Polarized and unpolarized neutron diffractions have been carried out to investigate the nature of the magnetic structures and transitions in monoclinic Co3TeO6. As the temperature is lowered below 26 K long range order develops, which is fully incommensura ...

Springer Nature2017

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

Local resilience of the 1T-TiSe2 charge density wave to Ti self-doping

Helmuth Berger, Elia Razzoli, Philipp Aebi

In Ti-intercalated self-doped 1T-TiSe2 crystals, the charge density wave (CDW) superstructure induces two nonequivalent sites for Ti dopants. Recently, it has been shown that increasing Ti doping dramatically influences the CDW by breaking it into phase-sh ...

Amer Physical Soc2017

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

Magnetic anisotropy in the frustrated spin-chain compound beta-TeVO4

Helmuth Berger

Isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound beta-TeVO4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetizati ...

Amer Physical Soc2016

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

Coherent Structural Dynamics of a Prototypical Charge-Density-Wave-to-Metal Transition

Paul Beaud

Using femtosecond time-resolved x-ray diffraction, we directly monitor the coherent lattice dynamics through an ultrafast charge-density-wave-to-metal transition in the prototypical Peierls system K0.3MoO3 over a wide range of relevant excitation fluences. ...

American Physical Society2014

Dynamics of charge density wave order in the quasi one dimensional conductor (TaSe4)(2)I probed by femtosecond optical spectroscopy

Helmuth Berger

Carrier and collective mode dynamics in the quasi one-dimensional charge density wave (CDW) system (TaSe4)(2)I have been investigated by means of time-resolved optical pump-probe spectroscopy. In the low excitation, linear, regime we focus on the temperatu ...

Springer Heidelberg2013

Positive effective Q(12) electrostrictive coefficient in perovskites

Alexander Tagantsev, Alexander Kvasov

It is demonstrated that for classical perovskites, such as BaTiO3; SrTiO3, and PbTiO3, electrostrictive strain induced by an electric field may not obey traditionally considered "extension along the field and contraction perpendicular to it" behavior if th ...

American Institute of Physics2012