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We compute the electronic structure, spin and charge state of Fe ions, and structural phase stability of paramagnetic CaFeO$_3$ under pressure using a fully self-consistent in charge density DFT+dynamical mean-field theory method. We show…

强关联电子 · 物理学 2022-02-01 I. Leonov

Metal-insulator transition features as a transformation, from a highly charge conductive state to another state where charge conductivity is greatly suppressed when decreasing the temperature. Here we demonstrate two consecutive transitions…

强关联电子 · 物理学 2017-03-08 M. S. Saleem , C. Song , J. J. Peng , B. Cui , F. Li , Y. D. Gu , F. Pan

We have investigated the electronic structure of polycrystalline Ca$_2$FeReO$_6$ using photoemission spectroscopy and band-structure calculations within the local-density approximation+$U$ (LDA+$U$) scheme. In valence-band photoemission…

强关联电子 · 物理学 2009-11-10 H. Iwasawa , T. Saitoh , Y. Yamashita , D. Ishii , H. Kato , N. Hamada , Y. Tokura , D. D. Sarma

The metal-insulator transitions and the intriguing physical properties of rare-earth perovskite nickelates have attracted considerable attention in recent years. Nonetheless, a complete understanding of these materials remains elusive.…

We investigated systematic evolutions of structural and electronic properties of LixWO3 films, induced by Li-ion electrochemical reactions. Chronoamperometric Li-ion intercalation could control the amount of Li content up to x ~ 0.5. The…

材料科学 · 物理学 2016-06-29 Kohei Yoshimatsu , Takuto Soma , Akira Ohtomo

Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…

In complex oxide materials, changes in electronic properties are often associated with changes in crystal structure, raising the question of the relative roles of the electronic and lattice effects in driving the metal-insulator transition.…

强关联电子 · 物理学 2019-07-23 Alexandru B. Georgescu , Oleg E. Peil , Ankit Disa , Antoine Georges , Andrew J. Millis

We investigated metal-insulator transitions for double layer two-dimensional electron hole systems in transition metal dicalcogenides (TMDC) stacked on opposite sides of thin layers of boron nitride (BN). The interparticle interaction is…

介观与纳米尺度物理 · 物理学 2021-12-08 S. T. Chui , Ning Wang , B. Tanatar

Heteroepitaxy offers a new type of control mechanism for the crystal structure, the electronic correlations, and thus the functional properties of transition-metal oxides. Here, we combine electrical transport measurements, high-resolution…

Metal-to-insulator phase transitions in complex oxide thin films are exciting phenomena which may be useful for device applications, but in many cases the physical mechanism responsible for the transition is not fully understood. Here we…

We report on a metal-insulator transition in the LaAlO3-SrTiO3 interface electron system, of which the carrier density is tuned by an electric gate field. Below a critical carrier density n_c ranging from 0.5-1.5 * 10^13/cm^2, LaAlO3-SrTiO3…

材料科学 · 物理学 2013-05-29 Y. C. Liao , T. Kopp , C. Richter , A. Rosch , J. Mannhart

The structural, electrical transport and magnetic properties of perovskite oxides La1-xTexMnO3 have been investigated and thus the magnetic phase diagram of La1-xTexMnO3 compounds as a function of temperature and the doping level x has been…

强关联电子 · 物理学 2007-05-23 J. Yang , W. H. Song , Y. Q. Ma , R. L. Zhang , B. C. Zhao , Z. G. Sheng , G. H. Zheng , J. M. Dai , Y. P. Sun

We have investigated the evolution of the electronic properties of La1-xSrxCrO3 (for the full range of x) epitaxial films deposited by molecular beam epitaxy (MBE) using x-ray diffraction, x-ray photoemission spectroscopy, Rutherford…

The origin of simultaneous electronic, structural and magnetic transitions in bulk rare-earth nickelates ($RE$NiO$_3$) remains puzzling with multiple conflicting reports on the nature of these entangled phase transitions. Heterostructure…

Interfacial charge transfer in oxide heterostructures gives rise to a rich variety of electronic and magnetic phenomena. Designing heterostructures where one of the thin-film components exhibits a metal-insulator transition opens a…

Neodymium nickelate, NdNiO3 attracts attraction due to the simultaneous occurrence of several phase transitions around the same temperature. The electronic properties of NdNiO3 are extremely complex as structural distortion, electron…

$RE$NiO$_3$ is a negative charge transfer energy system and exhibits a temperature-driven metal-insulator transition (MIT), which is also accompanied by a bond disproportionation (BD) transition. In order to explore how hole doping affects…

The nature of the metal insulator transition in thin films and superlattices of LaNiO3 with only few unit cells in thickness remains elusive despite tremendous effort. Quantum confinement and epitaxial strain have been evoked as the…

We propose a method of controlling the metal-insulator transition of one perovskite material at its interface with a another ferroelectric material based on first principle calculations. The operating principle is that the rotation of…

材料科学 · 物理学 2016-03-11 Xu He , Kui-juan Jin , Chen Ge , Zhong-shui Ma , Guo-zhen Yang

We study a model for the metal-insulator (MI) transition in the rare-earth nickelates RNiO$_3$, based upon a negative charge transfer energy and coupling to a rock-salt like lattice distortion of the NiO$_6$ octahedra. Using exact…

强关联电子 · 物理学 2014-03-12 Steve Johnston , Anamitra Mukherjee , Ilya Elfimov , Mona Berciu , George A. Sawatzky
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