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Layered materials span a very broad range of solids ranging from van der Waals materials to highly complex crystal structures such as clays. They are commonly believed to have highly anisotropic properties, which is essentially attributed…

Materials Science · Physics 2020-02-17 Jiawei Zhang , Lirong Song , Mattia Sist , Kasper Tolborg , Bo Brummerstedt Iversen

On the basis of detailed ab initio studies the influence of strain on the anisotropy of the transport distribution of the thermoelectrics Bi$_2$Te$_3$ and Sb$_2$Te$_3$ was investigated. Both tellurides were studied in their own, as well as…

Materials Science · Physics 2012-07-18 B. Y. Yavorsky , N. F. Hinsche , P. Zahn , I. Mertig

Controlling the coupling between localized spins and itinerant electrons can lead to exotic magnetic states. A novel system featuring local magnetic moments and extended 2D electrons is the interface between LaAlO3 and SrTiO3. The magnetism…

Strongly Correlated Electrons · Physics 2013-06-19 Arjun Joshua , J. Ruhman , S. Pecker , E. Altman , S. Ilani

The spinel/perovskite heterointerface $\gamma$-Al$_2$O$_3$/SrTiO$_3$ hosts a two-dimensional electron system (2DES) with electron mobilities exceeding those in its all-perovskite counterpart LaAlO$_3$/SrTiO$_3$ by more than an order of…

In an effort to extend the reach of current ab initio calculations to simulations requiring millions of configurations for complex systems such as heterostructures, we have parameterized the third-generation Charge Optimized Many-Body…

Materials Science · Physics 2015-10-20 Arthur France-Lanord , Patrick Soukiassian , Christian Glattli , Erich Wimmer

Obtaining high-quality thin films of 5d transition metal oxides is essential to explore the exotic semimetallic and topological phases predicted to arise from the combination of strong electron correlations and spin-orbit coupling. Here, we…

Strongly Correlated Electrons · Physics 2016-08-08 D. J. Groenendijk , N. Manca , G. Mattoni , L. Kootstra , S. Gariglio , Y. Huang , E. van Heumen , A. D. Caviglia

Conventional two-dimensional electron gases are realized by engineering the interfaces between semiconducting compounds. In 2004, Ohtomo and Hwang discovered that an electron gas can be also realized at the interface between large gap…

Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new…

Materials Science · Physics 2017-09-13 G. Bouzerar , S. Thébaud , Ch. Adessi , R. Debord , M. Apreutesei , R. Bachelet , S. Pailhès

In condensed matter physics the quasi two-dimensional electron gas at the interface of two different insulators, polar LaAlO3 on non-polar SrTiO3 (LaAlO3/SrTiO3) is a spectacular and surprising observation. This phenomenon is LaAlO3 film…

The optical conductivity of heavy fermions can reveal fundamental properties of the charge carrier dynamics in these strongly correlated electron systems. Here we extend the conventional techniques of infrared optics on heavy fermions by…

Strongly Correlated Electrons · Physics 2016-04-13 Julia P. Ostertag , Marc Scheffler , Martin Dressel , Martin Jourdan

An ultralow lattice thermal conductivity of 0.14 W$\cdot$ m$^{-1} \cdot$ K$^{-1}$ along the $\vec b$ axis of As$_2$Se$_3$ single crystals was obtained at 300 K by first-principles calculations involving the density functional theory and the…

Materials Science · Physics 2017-12-18 Robert L. González-Romero , Alex Antonelli , Anderson S. Chaves , Juan J. Meléndez

A theory of heterostructures comprised of LaTiO$_3$ (a Mott insulator) and SrTiO$_3$ (a band insulator) is presented. The band structure of the Ti $d$% -electrons is treated with a nearest neighbor tight-binding approximation; the electric…

Strongly Correlated Electrons · Physics 2009-11-10 Satoshi Okamoto , Andrew J. Millis

Novel electronic systems forming at oxide interfaces comprise a class of new materials with a wide array of potential applications. A high mobility electron system forms at the LaAlO$_3$/SrTiO$_3$ interface and, strikingly, both…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Lu Li , C. Richter , S. Paetel , T. Kopp , J. Mannhart , R. C. Ashoori

First-principles calculations based on density-functional theory in the pseudo-potential approach have been performed for the total energy, crystal structure and cell polarization for SrTaO$_2$N/SrTiO$_3$ heterostructures. Different…

We studied the structural, magnetic and transport properties of LaAlO3/EuTiO3/SrTiO3 heterostructures grown by Pulsed Laser Deposition. The samples have been characterized in-situ by electron diffraction and scanning probe mi-croscopy and…

We report on the observation of a Tc ~0.9 K superconductivity at the interface between LaAlO3 film and the 5d transition-metal oxide KTaO3(110) single crystal. The interface shows a large anisotropy of the upper critical field, and its…

In recent years, striking discoveries have revealed that two-dimensional electron liquids (2DEL) confined at the interface between oxide band-insulators can be engineered to display a high mobility transport. The recognition that only few…

Materials Science · Physics 2012-10-31 Gervasi Herranz , Florencio Sánchez , Nico Dix , Mateusz Scigaj , Josep Fontcuberta

When insulator LaAlO3 is grown by epitaxy onto a TiO2-terminated {100} surface of insulator SrTiO3, the resulting system has a metallic character. This phenomenon has been associated with an electrostatic frustration at the interface, as…

Materials Science · Physics 2016-08-16 J. -L. Maurice , C. Carretero , M. -J. Casanove , K. Bouzehouane , S. Guyard , É. Larquet , J. -P. Contour

In this work, density functional theory calculations were carried out to explore the mechanical response, dynamical/thermal stability, electronic/optical properties and photocatalytic features of monoclinic As2X3 (X=S, Se and Te)…

Computational Physics · Physics 2020-01-03 Bohayra Mortazavi , Fazel Shojaei , Maryam Azizi , Timon Rabczuk , Xiaoying Zhuang

Spin textures are ubiquitous in antiferromagnets, yet their consequences for altermagnets remain largely unexplored. We show that smooth spatial variations of the N\'eel order act on itinerant electrons as emergent gauge fields, producing…

Mesoscale and Nanoscale Physics · Physics 2026-03-12 Andrea Maiani