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We implement molecular dynamics simulations in canonical ensemble to study the effect of confinement on a $2d$ crystal of point particles interacting with an inverse power law potential proportional to $r^{-12}$ in a narrow channel. This…

Soft Condensed Matter · Physics 2014-09-30 M. Ebrahim Foulaadvand , Neda Ojaghlou

As a first step towards understanding the morphology of PdO crystals we performed a systematic full-potential density-functional theory study of all possible 1 x 1 terminations of the low-index surfaces of tetragonal PdO. Applying the…

Materials Science · Physics 2009-11-10 Jutta Rogal , Karsten Reuter , Matthias Scheffler

Two overall neutral surfaces with positive and negative charged domains ("patches") have been shown in recent experiments to exhibit long-range attraction when immersed in an ionic solution. Motivated by the experiments, we calculate…

Soft Condensed Matter · Physics 2016-08-31 Ram M. Adar , David Andelman , Haim Diamant

An initial-boundary value problem for the multidimensional type III thermoelaticity for a nonsimple material with a center of symmetry is considered. In the linear case, the well-posedness with and without Kelvin-Voigt and/or frictional…

Analysis of PDEs · Mathematics 2016-05-09 Andrii Anikushyn , Michael Pokojovy

Colloidal particles are often seen as big atoms that can be directly observed in real space. They are therefore playing an increasingly important role as model systems to study processes of interest in condensed matter physics such as…

Over the last few years, wall-crossing for Bridgeland stability conditions has led to a large number of results in algebraic geometry, particular on birational geometry of moduli spaces. We illustrate some of the methods behind these result…

Algebraic Geometry · Mathematics 2016-10-20 Arend Bayer

We investigate the possibility that the surface of a strongly coupled electron-phonon system behaves differently from the bulk when the relevant parameters are inhomogeneous due to the presence of the interface. We consider parameter…

Strongly Correlated Electrons · Physics 2015-05-20 Reza Nourafkan , Frank Marsiglio , Massimo Capone

The epitaxial stabilization of a single layer or superlattice structures composed of complex oxide materials on polar (111) surfaces is severely burdened by reconstructions at the interface, that commonly arise to neutralize the polarity.…

Materials Science · Physics 2015-06-12 S. Middey , D. Meyers , M. Kareev , E. J. Moon , B. A. Gray , X. Liu , J. W. Freeland , J. Chakhalian

Interplay of spin, charge, orbital and lattice degrees of freedom in oxide heterostructures results in a plethora of fascinating properties, which can be exploited in new generations of electronic devices with enhanced functionalities. The…

Topological crystalline insulators are materials in which the crystalline symmetry leads to topologically protected surface states with a chiral spin texture, rendering them potential candidates for spintronics applications. Using scanning…

Crystalline $\rm Bi_2Se_3$ is one of the most explored three-dimensional topological insulator, with a $0.3\;\rm eV$ energy gap making it promising for applications. Its amorphous counterpart could bring to light new possibilities for large…

Materials Science · Physics 2021-12-14 Bruno Focassio , Gabriel R. Schleder , F. Crasto de Lima , Caio Lewenkopf , Adalberto Fazzio

The crystal structure and local spontaneous polarization of (BaTiO3)m/(SrTiO3)n superlattices is calculated using a first-principles density functional theory method. The in-plane lattice constant is 1% larger than the SrTiO3 substrate to…

Materials Science · Physics 2013-05-29 Karen Johnston , Xiangyang Huang , Jeffrey B. Neaton , Karin M. Rabe

We develop an exact electrostatic formulation for a finite-length conducting cylindrical shell of finite thickness separating two dielectric media with arbitrary permittivity contrast. The boundary-value problem is reduced to a coupled…

Classical Physics · Physics 2026-01-06 J. Ricardo de Sousa

We investigate the surface electronic structure and thermodynamic stability of the SrTiO3 (111) slabs using density functional theory. We observe that, for Ti-terminated slabs it is indeed possible to create a two-dimensional electron gas…

Materials Science · Physics 2015-06-16 N. Sivadas , H. Dixit , Valentino R. Cooper , Di Xiao

The term "surface polarization" is introduced to describe the in-plane polarization existing at the surface of an insulating crystal when the in-plane surface inversion symmetry is broken. Here, the surface polarization is formulated in…

Materials Science · Physics 2015-08-18 Yuanjun Zhou , Karin Rabe , David Vanderbilt

First observations of electrostatic potential variations within the flux surfaces of a toroidal magnetic confinement device are presented. Measurements are taken in the TJ-II stellarator with two distant Langmuir probe arrays. The edge…

In these conference proceedings, I describe recent developments in the study of thermalization dynamics in strongly, but not infinitely strongly coupled field theories using holography. After reviewing the main tools required in these…

High Energy Physics - Phenomenology · Physics 2014-11-27 Aleksi Vuorinen

Using first principles calculations, we study the ground-state structure of bulk proton-exchanged lithium niobate, which is also called hydrogen niobate and is widely used in waveguides. Thermodynamics helps to establish the most favorable…

Materials Science · Physics 2022-11-09 Lingyuan Gao , Robert B. Wexler , Ruixiang Fei , Andrew M. Rappe

Perovskite oxides attract increasing attention due to their broad potential in many applications. Understanding their surfaces is challenging, though, because the ternary composition of the bulk allows for multiple stable surface…

Materials Science · Physics 2019-03-27 Igor Sokolovic , Michael Schmid , Ulrike Diebold , Martin Setvin

Anisotropic particles oriented in a specific direction can act as artificial atoms and molecules, and their controlled assembly can result in a wide variety of ordered structures. Towards this, we demonstrate the orientation transitions of…

Soft Condensed Matter · Physics 2022-08-12 Mohit Singh , Yoav Tsori