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We have revisited the electronic structure of infinite-layer RNiO$_2$ (R= La, Nd) in light of the recent discovery of superconductivity in Sr-doped NdNiO$_2$. From a comparison to their cuprate counterpart CaCuO$_2$, we derive essential…

超导电性 · 物理学 2020-02-05 Antia S. Botana , Michael R. Norman

The discovery of superconductivity in thin films ($\sim$10 nm) of infinite-layer hole-doped NdNiO$_2$ has invigorated the field of high-temperature superconductivity research, reviving the debate over contrasting views that nickelates that…

超导电性 · 物理学 2022-02-15 Antia S. Botana , Kwan-Woo Lee , Michael R. Norman , Victor Pardo , Warren E. Pickett

The recent observation of superconductivity in infinite-layer nickelates has brought intense debate on the established knowledge of unconventional superconductivity based on the cuprates. Despite many similarities, the nickelates differ…

超导电性 · 物理学 2022-07-12 Dachuan Chen , Peiheng Jiang , Liang Si , Yi Lu , Zhicheng Zhong

Using advanced dynamical mean-field theory on a realistic level we study the normal-state correlated electronic structure of the high-pressure superconductor La$_3$Ni$_2$O$_7$ and compare the features of the conventional bilayer (2222)…

强关联电子 · 物理学 2024-07-26 Frank Lechermann , Steffen Bötzel , Ilya M. Eremin

We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ using density functional based calculations. A strong Fermi surface nesting at…

超导电性 · 物理学 2015-03-20 Xiangang Wan , Hang-Chen Ding , Sergey Y. Savrasov , Chun-Gang Duan

The three-dimensional Fermi surface structure of hole-doped metallic layered nickelate Eu2-xSrxNiO4 (x=1.1), an important counterpart to the isostructural superconducting cuprate La2-xSrxCuO4, is investigated by energy-dependent soft-x-ray…

The recently reported nickel carbide superconductor, body centered tetragonal $I4/mmm$ Th$_2$NiC$_2$ with T$_c$ = 8.5 K increasing to 11.2 K upon alloying Th with Sc, is found to have very fine structure in its electronic spectrum,…

材料科学 · 物理学 2013-07-02 Y. Quan , W. E. Pickett

Motivated by the recent discovery of superconductivity in the pentalayer nickelate Nd$_6$Ni$_5$O$_{12}$ [Nature Materials 10.1038], we calculate its electronic structure and superconducting critical temperature. We find that electronic…

超导电性 · 物理学 2022-09-08 Paul Worm , Liang Si , Motoharu Kitatani , Ryotaro Arita , Jan M. Tomczak , Karsten Held

By means of density functional theory the electronic structure of the MgB2 superconductor was characterised and compared with that of the related iso-structural systems: AlB2, ZrB2, NbB2, and TaB2. Using the full-potential linearized…

超导电性 · 物理学 2009-11-07 Pablo de la Mora , Miguel Castro , Gustavo Tavizon

The large antiferromagnetic exchange coupling in the parent high-$T_{\rm c}$ cuprate superconductors is believed to play a crucial role in pairing the superconducting carriers. The recent observation of superconductivity in hole-doped…

强关联电子 · 物理学 2020-12-22 Vamshi M. Katukuri , Nikolay A. Bogdanov , Oskar Weser , Jeroen van den Brink , Ali Alavi

Band renormalizations comprise crucial insights for understanding the intricate roles of electron-boson coupling and electron correlation in emergent phenomena such as superconductivity. In this study, by combining high-resolution…

The optical properties of LaNiO$_3$ thin films are investigated over a wide energy and temperature range. Thin films of varying thickness were epitaxially grown by pulsed laser deposition on LaAlO$_3$ and SrTiO$_3$ substrates. The optical…

强关联电子 · 物理学 2011-09-02 M. K. Stewart , Jian Liu , R. K. Smith , B. C. Chapler , C. - H. Yee , K. Haule , J. Chakhalian , D. N. Basov

The square-planar layered nickelates R$_{n+1}$Ni$_n$O$_{2n+2}$ (R= Nd, $n=4-7$) have been recently shown to be superconducting without the need for chemical doping or pressure. Here, we examine the electronic structure of the analog…

强关联电子 · 物理学 2026-03-31 Alexander K. Gavrilov , Lidia C. Santander , Antia S. Botana

Recently, the superconductivity of bilayer nickelate La3Ni2O7 has been observed in the thin film at ambient pressure, facilitated by epitaxial strain. Here, we investigate the effects of film thickness and carrier doping on the electronic…

超导电性 · 物理学 2025-03-27 Haoliang Shi , Zihao Huo , Guanlin Li , Hao Ma , Tian Cui , Dao-Xin Yao , Defang Duan

Dynamical mean field methods are used to calculate the phase diagram, many-body density of states, relative orbital occupancy and Fermi surface shape for a realistic model of $LaNiO_3$-based superlattices. The model is derived from density…

强关联电子 · 物理学 2013-04-09 M. J. Han , X. Wang , C. A. Marianetti , A. J. Millis

Using DFT+DMFT we study the normal-state electronic structure and magnetic correlations of the recently discovered alternating single-layer bilayer Raddlesden-Popper nickelate La$_5$Ni$_3$O$_{11}$ (1212-LNO). Our results exhibit qualitative…

强关联电子 · 物理学 2026-04-30 I. V. Leonov

Recent studies of La$_3$Ni$_2$O$_7$ have identified a bilayer (2222) structure and an unexpected alternating monolayer-trilayer (1313) structure, both of which feature signatures of superconductivity near 80 K under high pressures. Using…

We present an approach for calculating the electronic structure and transport properties of nanoscopic conductors that takes into account the dynamical correlations of strongly interacting d- or f-electrons by combining density functional…

介观与纳米尺度物理 · 物理学 2010-11-12 D. Jacob , K. Haule , G. Kotliar

The recent discovery of superconductivity under pressure in Ruddlesden-Popper (RP) nickelates has attracted a great deal of attention. Here, using charge-self consistent density-functional theory plus dynamical mean-field theory, we study…

强关联电子 · 物理学 2026-04-21 Harrison LaBollita , Antia S. Botana

Infinite-layer nickelates present a new family of potential unconventional superconductors. A key open question is the superconducting pairing symmetry. We present low-temperature measurements of the London penetration depth in optimally…