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Strontium titanate SrTiO$_3$ is one of the most studied and paradigmatic transition metal oxides. Recently, a breakthrough has been achieved with the fabrication of freestanding SrTiO$_3$ ultrathin films down to the monolayer limit.…

Materials Science · Physics 2023-03-28 Lorenzo Varrassi , Peitao Liu , Cesare Franchini

Using density functional theory based calculations, we show that the correlated mixed-valent compound SmO is a 3D strongly topological semi-metal as a result of a 4$f$-5$d$ band inversion at the X point. The [001] surface Bloch spectral…

Strongly Correlated Electrons · Physics 2015-05-20 Deepa Kasinathan , Klaus Koepernik , L. H. Tjeng , Maurits W. Haverkort

We employ density functional theory plus dynamical mean field theory and identify the physical origin of why two layers of SrVO$_3$ on a SrTiO$_3$ substrate are insulating: the thin film geometry lifts the orbital degeneracy which in turn…

Two-dimensional ferroelectric materials are beneficial for power-efficient memory devices and transistor applications. Here, we predict out-of-plane ferroelectricity in a new family of buckled metal oxide (MO; M: Ge, Sn, Pb) monolayers with…

Applied Physics · Physics 2024-10-28 Ateeb Naseer , Musaib Rafiq , Somnath Bhowmick , Amit Agarwal , Yogesh Singh Chauhan

The transition metal-oxygen bond appears prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form. Many of these…

Strongly Correlated Electrons · Physics 2009-11-13 Lucas K. Wagner

Motivated by the recently observed topological Hall effect in ultra-thin films of SrRuO$_3$ (SRO) grown on SrTiO$_3$ (STO) [001] substrate, we investigate the magnetic ground state and anomalous Hall response of the SRO ultra-thin films by…

Materials Science · Physics 2020-06-24 K. Samanta , M. Ležaić , M. Merte , F. Freimuth , S. Blügel , Y. Mokrousov

The number of atomic layers confined in a two-dimensional structure is crucial for the electronic and magnetic properties. Single-layer and bilayer $J_{\rm eff} = 1/2$ square lattices are well-known examples where the presence of the extra…

By preforming DFT+DMFT calculations, we systematically investigate the correlated electronic structure in the newly discovered monolayer-trilayer (ML-TL) phase of La$_3$Ni$_2$O$_7$ (1313-La327). Our calculated Fermi surfaces are in good…

Strongly Correlated Electrons · Physics 2025-03-13 Zhenfeng Ouyang , Jia-Ming Wang , Rong-Qiang He , Zhong-Yi Lu

The observation of electronic phase separation textures in vanadium dioxide (VO2), a prototypical electron-correlated oxide, has recently added new perspectives on the long standing debate about its metal-insulator transition and its…

Materials Science · Physics 2021-01-13 Felip Sandiumenge , Laura Rodriguez , Miguel Pruneda , Cesar Magen , Jose Santiso , Gustau Catalan

Strong electronic correlations can produce remarkable phenomena such as metal-insulator transitions and greatly enhance superconductivity, thermoelectricity, or optical non-linearity. In correlated systems, spatially varying charge textures…

The 5$d$ transition metal oxides, in particular iridates, host novel electronic and magnetic phases due to the interplay between onsite Coulomb repulsion ($U$) and spin-orbit coupling (SOC). The reduced dimensionality brings another degree…

Strongly Correlated Electrons · Physics 2022-02-08 Amit Chauhan , B. R. K. Nanda

Oxygen stoichiometry is one of the most important elements in determining the physical properties of transition metal oxides (TMOs). A small fractional change in the oxygen content, resulting in the variation of valence state of the…

Materials Science · Physics 2013-07-17 Hyoungjeen Jeen , Woo Seok Choi , John W. Freeland , Hiromichi Ohta , Chang Uk Jung , Ho Nyung Lee

Discovering materials that combine topological phenomena with correlated electron behavior is a central pursuit in quantum materials research. Monolayer TaIrTe$_4$ has recently emerged as a promising platform in this context, hosting robust…

The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with…

Strongly Correlated Electrons · Physics 2015-05-19 Victor Pardo , Warren E. Pickett

TiO$_2$ and WO$_3$ are two of the most important earth-abundant electronic materials with applications in countless industries. Recently alloys of WO$_3$ and TiO$_2$ have been investigated leading to improvements of key performance…

Electronic correlation and reconstruction are two important factors that play a critical role in shaping the magnetic and electronic properties of correlated low-dimensional systems. Here, we report a competition between the electronic…

Concurrent structural and electronic transformations in VO2 thin films are of twofold importance: enabling fine-tuning of the emergent electrical properties in functional devices, yet creating an intricate interfacial domain structure of…

Moir\'e engineering has recently emerged as a capable approach to control quantum phenomena in condensed matter systems. In van der Waals heterostructures, moir\'e patterns can be formed by lattice misorientation between adjacent atomic…

Recently various topological polar structures have been discovered in oxide thin films. Despite the increasing evidence of their switchability under electrical and/or mechanical fields, the dynamic property of isolated ones, which is…

Phase transformations can be difficult to characterize at the microscopic level due to the inability to directly observe individual atomic motions. Model colloidal systems, by contrast, permit the direct observation of individual particle…

Soft Condensed Matter · Physics 2015-04-21 Ye Yang , Lin Fu , Catherine Marcoux , Joshua E. S. Socolar , Patrick Charbonneau , Benjamin B. Yellen