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標(biāo)題: Titlebook: Electronic Structure of Rare-Earth Nickelates from First-Principles; Harrison LaBollita Book 2024 The Editor(s) (if applicable) and The Au [打印本頁]

作者: 使沮喪    時間: 2025-3-21 19:59
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作者: libertine    時間: 2025-3-21 20:17
Ab-initio Approaches to Correlated Materials,apters. Ab-initio is Latin for “from the beginning”, which captures perfectly our intentions for the theoretical framework we would like to have. Ideally, we could write down a solvable quantum mechanical theory that builds up from the basic interactions between electrons and ions that can predict a
作者: FIS    時間: 2025-3-22 01:13

作者: 山頂可休息    時間: 2025-3-22 04:42
Comparing Layered Nickelate Superconductors Within DFT+DMFT, 21:160–164, 2022), we focus on DFT+DMFT calculations for this material and compare it with the infinite-layer nickelate .NiO.. We look at both compounds at the same nominal carrier concentration ., which essentially corresponds to optimal doping in the cuprates. The key result of this chapter is th
作者: 無法取消    時間: 2025-3-22 11:38

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作者: enlist    時間: 2025-3-22 20:20
Book 2024cently discovered nickel-oxide (nickelate) superconductors using multiple first-principles computational tools, from density functional theory to dynamical mean field theory. In the context of superconductivity, discoveries have generally been linked to serendipitous experimental discovery; this the
作者: 必死    時間: 2025-3-22 21:38

作者: 打折    時間: 2025-3-23 03:55

作者: Exaggerate    時間: 2025-3-23 07:44
Jochen A. Werner M.D.,R. Kim Davis M.D.ickelates is highly tunable as the dimensionality changes from quasi-two-dimensional to three-dimensional as .. Specifically, we identify the tunable electronic features to be: the charge-transfer energy, presence of . states around the Fermi level, and the strength of electronic correlations. This chapter is based on results published in ..
作者: 紡織品    時間: 2025-3-23 13:47
Ab-initio Approaches to Correlated Materials,eory (DFT) (with an emphasis on all-electron, full potential codes) and beyond DFT methods including DFT+. and DFT + dynamical mean-field theory (DMFT). Finally, we discuss the implementation of DFT+DMFT in a popular DFT code, WIEN2k interfaced with a many-body physics library, TRIQS.
作者: Fierce    時間: 2025-3-23 14:40
Many-Body Trends of Reduced Ruddlesden-Popper Nickelates,ickelates is highly tunable as the dimensionality changes from quasi-two-dimensional to three-dimensional as .. Specifically, we identify the tunable electronic features to be: the charge-transfer energy, presence of . states around the Fermi level, and the strength of electronic correlations. This chapter is based on results published in ..
作者: Headstrong    時間: 2025-3-23 18:32
Metastasen und Rezidive im Knochenrvoir. These findings indicate that all compounds in the layered nickelate family as a whole should behave electronically similar when compared at the same carrier concentrations. This chapter is based on results published in . and ..
作者: 滔滔不絕地說    時間: 2025-3-23 22:10
Comparing Layered Nickelate Superconductors Within DFT+DMFT,rvoir. These findings indicate that all compounds in the layered nickelate family as a whole should behave electronically similar when compared at the same carrier concentrations. This chapter is based on results published in . and ..
作者: 女歌星    時間: 2025-3-24 02:27
Victor I. Mikla,Victor I. Miklaed trilayer . and infinite-layer nickelates (.). From our calculations, we find that the cuprate-like character of layered nickelates increases from the . to the . members as the charge transfer energy and the self-doping effect due to . bands around the Fermi level gradually decrease. This chapter is based on results published in ., ., and ..
作者: dialect    時間: 2025-3-24 07:57
DFT Trends in the Electronic Structure and Magnetic Properties of Reduced Ruddlesden-Popper Nickelaed trilayer . and infinite-layer nickelates (.). From our calculations, we find that the cuprate-like character of layered nickelates increases from the . to the . members as the charge transfer energy and the self-doping effect due to . bands around the Fermi level gradually decrease. This chapter is based on results published in ., ., and ..
作者: 噴出    時間: 2025-3-24 12:42
Book 2024sis reports some of the few examples of predictions of new superconductors that have later been realized in practice, a prime example of the significance of the methodology it expounds. Overall, it represents a seminal systematic work in the electronic structure theory of the emergent field of nickelate superconductivity..
作者: Locale    時間: 2025-3-24 15:56

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作者: Essential    時間: 2025-3-25 01:22

作者: commonsense    時間: 2025-3-25 06:29
Electronic Structure of Rare-Earth Nickelates from First-Principles
作者: BARGE    時間: 2025-3-25 10:12

作者: 許可    時間: 2025-3-25 11:42
Conductivity of Infinite-Layer Nickelate as a Probe of Spectator Bands,e Nd(5.) bands and including dynamical interactions on the Nd(5.) orbitals with shifts of the Nd-Ni .-level energy difference. We find a robust conducting pathway in the out-of-plane direction arising from strong hybridization between the Ni-. and Nd(5.) orbitals. This pathway can be “short-circuite
作者: 愛哭    時間: 2025-3-25 18:38
Wolfgang Kitsche,Ingo Müller,Peter Strehlow discovery. One strategy to address this challenge has been to look for “cuprate analog” materials: alternative transition metal oxides that exhibit ingredients that are considered proxies for cuprate physics. These key ingredients include a quasi-2D structure based on the CuO. planes, a nominal oxi
作者: 固定某物    時間: 2025-3-25 21:52
From Supercooled Liquids to RFOT,apters. Ab-initio is Latin for “from the beginning”, which captures perfectly our intentions for the theoretical framework we would like to have. Ideally, we could write down a solvable quantum mechanical theory that builds up from the basic interactions between electrons and ions that can predict a
作者: Exuberance    時間: 2025-3-26 02:13
Victor I. Mikla,Victor I. Miklad 3–6). We focus in particular on the .–6 nickelates as they fall into the superconducting dome of the cuprates in terms of electron count. We concentrate on understanding the similarities and differences of their electronic structure to the cuprates as well as on comparing them to the already studi
作者: amplitude    時間: 2025-3-26 06:30

作者: Basal-Ganglia    時間: 2025-3-26 11:25

作者: 留戀    時間: 2025-3-26 16:20

作者: Leisureliness    時間: 2025-3-26 19:09
Harrison LaBollitaNominated as an outstanding PhD thesis by Arizona State University, USA.Gives an introduction to ab initio approaches to correlated materials.Presents a systematic study of the electronic structure th
作者: 甜得發(fā)膩    時間: 2025-3-26 21:19
Springer Theseshttp://image.papertrans.cn/f/image/320528.jpg
作者: amygdala    時間: 2025-3-27 05:02

作者: Repatriate    時間: 2025-3-27 06:32

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作者: EVEN    時間: 2025-3-27 13:51
https://doi.org/10.1007/978-1-0716-1350-4In this chapter, we offer a summary of the entire thesis by contextualizing each chapter into the broader theme of unconventional superconductivity in cuprate analog materials. We conclude by offering exciting future directions to explore in the field of nickelate superconductivity.
作者: MUT    時間: 2025-3-27 20:08
Summary and Outlook,In this chapter, we offer a summary of the entire thesis by contextualizing each chapter into the broader theme of unconventional superconductivity in cuprate analog materials. We conclude by offering exciting future directions to explore in the field of nickelate superconductivity.
作者: 字形刻痕    時間: 2025-3-27 22:20

作者: 施魔法    時間: 2025-3-28 04:20
S. N. Phukand to the selection differentials estimated from the observed changes in reproductive parameters. It is concluded that the direction of the observed changes is in agreement with the expected change due to selective fishing.
作者: 沒血色    時間: 2025-3-28 09:03

作者: BET    時間: 2025-3-28 12:00
Reproductive Ethics: New Challenges and Conversations Introduction,e there really enough compelling topics and scholarship in this area to sustain interest for a 2-day conference? Our view, and the perspective confirmed by this book, is that reproductive ethics is a field that has many questions, which we have only started to explore to the extent that they deserve
作者: 貿(mào)易    時間: 2025-3-28 16:03





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