47 citations · 139 across the 9 of their papers we have counts for
9 papers
Orbital character and photoemission signatures of the A-pocket in infinite-layer nickelates
Leonard M. Verhoff, Michael Seidl, Liang Si +1
The orbital character of the so-called -pocket in infinite-layer nickelates remains under debate. We investigate bulk NdNiO using density-functional theory combined with dyn…
Beyond the conventional Emery model: crucial role of long-range hopping for cuprate superconductivity
Eric Jacob, M. O. Malcolms, Viktor Christiansson +6
The Emery model is the quintessential model for cuprate superconductors. In his eponymous paper, Emery only considered the next-nearest-neighbor oxygen-copper hopping. Later, also…
Enhanced -wave superconductivity in electron-doped LaNiO
Xun Liu, Chao Deng, Wenfeng Wu +2
In cuprates, electron doping yields a much lower superconducting than hole doping. For recently discovered nickelate superconductors, the analogous doping strategies become m…
Pressure induced redistribution of oxygen hole states in LaNiO
Guiwen Jiang, Liang Si, George A. Sawatzky +1
Using density functional calculations and multi-orbital, multi-atom cluster exact diagonalization that includes local exchange and Coulomb interactions, we explored the local low-e…
Topotactic-hydrogen forms chains in O nickelate superconductors
Liang Si, Paul Worm, Dachuan Chen +1
Despite enormous experimental and theoretical efforts, obtaining generally accepted conclusions regarding the intrinsic magnetic and electronic properties of superconducting nickel…
Correlations turn electronic structure of finite-layer nickelates upside down
Paul Worm, Liang Si, Motoharu Kitatani +3
Motivated by the recent discovery of superconductivity in the pentalayer nickelate NdNiO [Nature Materials 10.1038], we calculate its electronic structure and superc…
Pitfalls and solutions for perovskite transparent conductors
Liang Si, Josef Kaufmann, Jan M. Tomczak +2
Transparent conductors-nearly an oxymoron-are in pressing demand, as ultra-thin-film technologies become ubiquitous commodities. As current solutions rely on non-abundant elements,…
Magnetism in SrCrMoO: A combined abinitio and model study
Prabuddha Sanyal, Anita Halder, Liang Si +3
Using a combination of first-principles density functional theory (DFT) calculations and exact diagonalization studies of a first-principles derived model, we carry out a microscop…
A route to room temperature ferromagnetic ultrathin SrRuO films
Liang Si, Zhicheng Zhong, Jan M. Tomczak +1
Experimental efforts to stabilize ferromagnetism in ultrathin films of transition metal oxides have so far failed, despite expectations based on density functional theory (DFT) and…