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Using first-principles density functional theory calculations, we discover an anomalously large bi-axial strain-induced octahedral rotation axis reorientation in orthorhombic perovskites with tendency towards rhombohedral symmetry. The…

Materials Science · Physics 2011-06-14 James M. Rondinelli , Sinisa Coh

Ferromagnetic-paramagnetic phase transitions in classical and quantum thin films have been studied up to 50 mono-layers using effective field theory with two-site cluster approximation. Variation of the Curie temperature as a function of…

Statistical Mechanics · Physics 2014-12-24 Yusuf Yuksel , Umit Akinci

Recent advances in moire engineering provide new pathways for manipulating lattice distortions and electronic properties in low-dimensional materials. Here, we demonstrate that twisted stacking can induce dipolar vortices in metallic SrRuO3…

The realization of ambient-pressure superconductivity in La$_3$Ni$_2$O$_7$ thin films raises a fundamental question: is the metallic ground state driven by lattice strain or interfacial charge reconstruction? Using fully self-consistent…

Superconductivity · Physics 2025-12-22 Guanlin Li , Cui-Qun Chen , Haoliang Shi , Zhengtao Liu , Hao Ma , Fubo Tian , Dao-Xin Yao , Defang Duan

Since the discovery of two-dimensional (2D) electron gas in LaAlO3/SrTiO3 interface, 2D carrier gases in perovskite oxides have attracted great attention because they can host many important phenomena and may produce novel functional…

Materials Science · Physics 2019-06-05 Xue-Jing Zhang , Bang-Gui Liu

The electronic structure of the ferromagnetic semiconductor EuO is investigated by means of spin- and angle-resolved photoemission spectroscopy (spin-ARPES) and density functional theory. EuO exhibits unique properties of hosting both…

Organic-inorganic halide perovskite solar cells have recently attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. The reduction from three- to two-dimension (2D) promises an…

Materials Science · Physics 2018-07-24 Rahul Singh , Prashant Singh , Ganesh Balasubramanian

Two dimensional (2D) layered transition-metal-based tellurides (chalcogens) are known to harness their surface atoms characteristics to enhance topographical activities for energy conversion, storage, and magnetic applications. High surface…

Quantum wells made of two-dimensional organic-inorganic hybrid perovskites (2D-PKs) offer a high degree of flexibility in tailoring optoelectronic properties through carrier confinement and functional interlayers. Compared to their 3D…

With increasing temperature, ${\rm Sr}_2{\rm ScSbO}_6$ undergoes three structural phase transitions at approximately ${\rm 400K}$, ${\rm 560K}$ and ${\rm 650K}$, leading to the following sequence of phases: $P2_1/n \rightarrow I2/m…

Materials Science · Physics 2017-02-09 Rajyavardhan Ray , A K Himanshu , Pintu Sen , Uday Kumar , Manuel Richter , T P Sinha

We investigate the influence of hydrogen on the electronic structure of a binary transition metallic glass of V$_{80}$Zr$_{20}$. We examine the hybridization between the hydrogen and metal atoms with the aid of hard x-ray photoelectron…

Materials Science · Physics 2024-03-21 Johan Bylin , Rebecka Lindblad , Lennart Spode , Ralph H. Scheicher , Gunnar K. Pálsson

By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…

Materials Science · Physics 2011-03-03 Massimiliano Stengel , David Vanderbilt , Nicola A. Spaldin

In transition-metal compounds, the transition-metal d electrons play an important role in their physical properties; however, the effects of the electron correlation between the ligand p electrons have not been clear yet. In this Letter,…

We report on strong dipole transitions to 3d orbitals of neighboring Co atoms in the Co 1s x-ray absorption pre-edge. They are revealed by applying high-resolution resonant x-ray emission spectroscopy (RXES) to compounds containing CoO6…

Strongly Correlated Electrons · Physics 2008-02-21 György Vankó , Frank M. F. de Groot , Simo Huotari , R. J. Cava , Thomas Lorenz , M. Reuther

Graphene-oxide hybrid structures offer the opportunity to combine the versatile functionalities of oxides with the excellent electronic transport in graphene. Understanding and controlling how the dielectric environment affects the…

Mesoscale and Nanoscale Physics · Physics 2012-07-26 X. Hong , K. Zou , A. M. DaSilva , C. H. Ahn , J. Zhu

The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO3 appears as a very interesting system as it was theoretically proposed that its (001)…

We study the temperature dependence of the conductivity of the 2D electronic solid. In realistic samples, a domain structure forms in the solid and each domain randomly orients in the absence of the in-plane field. At higher temperature,…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Shi-Jie Yang , Yue Yu

The effects of atomic-scale disorder and charge (de)localization holds significant importance,and they provide essential insights in unravelling the role that strong and weak correlations play in condensed matter systems.For perovskite…

The rich phase diagram of bulk Pr$_{1-x}$Ca$_{x}$MnO$_3$ resulting in a high tunability of physical properties gave rise to various studies related to fundamental research as well as prospective applications of the material. Importantly, as…

Bulk EuPd$_2$Si$_2$ show a temperature-driven valence transisition of europium from $\sim$+2 above 200 K to $\sim$+3 below 100 K, which is correlated with a shrinking by approximatly 2 % of the crystal lattice along the two a-axes. Due to…