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Perovskite bilayers with (111)-orientation combine a honeycomb lattice as a key feature with the strongly correlated, multiorbital nature of electrons in transition metal oxides. In a systematic DFT+$U$ study of (111)-oriented…

材料科学 · 物理学 2016-05-04 David Doennig , Santu Baidya , Warren E. Pickett , Rossitza Pentcheva

The electronic structure of a LaNiO$_3$ bilayer grown along the [111] direction and confined between insulating layers of LaAlO$_3$ is theoretically investigated using a combination of first principle calculations and effective…

强关联电子 · 物理学 2012-06-28 Andreas Rüegg , Chandrima Mitra , Alexander A. Demkov , Gregory A. Fiete

A set of broken symmetry two-dimensional ground states are predicted in (111)-oriented (LaNiO$_3$)$_N$/(LaAlO$_3$)$_M$ ($N$/$M$) superlattices, based on density functional theory (DFT) calculations including a Hubbard $U$ term. An…

强关联电子 · 物理学 2014-03-26 David Doennig , Warren E. Pickett , Rossitza Pentcheva

Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as Hubbard type correlation, are expected in the ($111$) bilayer of perovskite-structural transition-metal oxides. Based on the…

材料科学 · 物理学 2015-11-11 Yakui Weng , Xin Huang , Yugui Yao , Shuai Dong

Density functional theory calculations with an on-site Coulomb repulsion term (GGA+U method) reveal competing ground states in (111) oriented (LaAlO$_3$)$_M$/(SrTiO$_3$)$_N$ superlattices with n-type interfaces, ranging from spin, orbital…

强关联电子 · 物理学 2013-09-25 David Doennig , Warren E. Pickett , Rossitza Pentcheva

We investigate the correlation-induced Mott, magnetic, and topological phase transitions in artificial (111) bilayers of perovskite transition-metal oxides LaAuO$_3$ and SrIrO$_3$ for which the previous density-functional theory…

强关联电子 · 物理学 2015-06-18 Satoshi Okamoto , Wenguang Zhu , Yusuke Nomura , Ryotaro Arita , Di Xiao , Naoto Nagaosa

In the present paper, the Gutzwiller density functional theory (LDA+G) has been applied to study a bilayer system of LaCoO$_3$ grown along the $(111)$ direction on SrTiO$_3$. The LDA calculations show that there are two nearly flat bands…

强关联电子 · 物理学 2015-04-01 Yilin Wang , Zhijun Wang , Zhong Fang , Xi Dai

Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in $3d$ transition metal oxide honeycomb layers confined in the corundum structure…

材料科学 · 物理学 2018-01-17 Okan Köksal , Santu Baidya , Rossitza Pentcheva

The non-interacting band structure of spinless fermions in a two-dimensional ($d=2$) $p$-band honeycomb lattice exhibits two quadratic band touching points (QBTPs), which lie at the Fermi levels of filling $\nu=1/4$ and its particle-hole…

强关联电子 · 物理学 2019-07-10 Hua Chen , X. C. Xie

The expected phenomenology of non-interacting topological band insulators (TBI) is now largely theoretically understood. However, the fate of TBIs in the presence of interactions remains an active area of research with novel,…

强关联电子 · 物理学 2013-05-30 Mehdi Kargarian , Abdollah Langari , Gregory A. Fiete

We report a density functional theory plus dynamical mean field theory (DFT+DMFT) study of an oxide heterostructure of LaNiO$_3$ (LNO) bilayers in [111] direction interleaved with four atomic monolayers of LaAlO$_3$. DFT+$U$ optimizations…

强关联电子 · 物理学 2019-09-20 Oleg Janson , Karsten Held

We study the general phase diagram of correlated electrons for iridium-based (Ir) compounds on the hyperhoneycomb lattice---a crystal structure where the Ir$^{4+}$ ions form a three-dimensional network with three-fold coordination recently…

强关联电子 · 物理学 2014-06-11 Eric Kin-Ho Lee , Subhro Bhattacharjee , Kyusung Hwang , Heung-Sik Kim , Hosub Jin , Yong Baek Kim

Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La$_5$Ni$_3$O$_{11}$ with hybrid single-layer and bilayer stacking showed superconductivity under high…

超导电性 · 物理学 2025-11-07 Yang Zhang , Ling-Fang Lin , Adriana Moreo , Satoshi Okamoto , Thomas A. Maier , Elbio Dagotto

Quantum anomalous Hall (QAH) phases in magnetic topological insulators are characterized by the scattering-free chiral edge currents protected by their nontrivial bulk band topology. To fully explore these intriguing phenomena and…

强关联电子 · 物理学 2019-03-13 Hai-Shuang Lu , Guang-Yu Guo

Motivated by the discovery of high-temperature superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure, we investigate the ground-state phase diagram and correlation effects using determinant quantum Monte Carlo simulations…

强关联电子 · 物理学 2025-02-07 Jian-Jian Yang , Dao-Xin Yao , Han-Qing Wu

We start by describing a symmetry enforced nodal line semi-metal (NLSM) in the 2D flat form of honeycomb Group - V and its non trivial thermo-electric response. We will then proceed to show that, upon buckling, the system undergoes its…

材料科学 · 物理学 2022-02-15 Santosh Kumar Radha

Long-range interactions (LRIs) are ubiquitous in nature. Higher-order topological (HOT) insulator represents a new phase of matter. A critical issue is how LRI dictates the HOT phases. In this work, we discover four topologically distinct…

介观与纳米尺度物理 · 物理学 2022-09-14 Huanhuan Yang , Lingling Song , Yunshan Cao , Peng Yan

Heterostructure engineering provides an efficient way to obtain several unconventional phases of LaNiO3, which is otherwise paramagnetic, metallic in bulk form. In this work, a new class of short periodic superlattices, consisting of LaNiO3…

强关联电子 · 物理学 2019-10-18 S. Middey , Ranjan Kumar Patel , D. Meyers , Xiaoran Liu , M. Kareev , P. Shafer , J. -W. Kim , P. J. Ryan , J. Chakhalian

The recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has stimulated intensive investigations concerning its paring mechanism and a correct description of its effective low-energy physics.…

超导电性 · 物理学 2025-01-17 Jiangfan Wang , Yi-feng Yang

Layered quasi two dimensional systems have garnered huge interest both in the advancement of technology and in understanding emergent physics such as unconventional superconductivity, topological phases. In particular, the study of…

强关联电子 · 物理学 2019-08-07 Archana Mishra , SungBin Lee
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