| 1. |
- Coll, M., et al.
(författare)
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Towards Oxide Electronics: a Roadmap
- 2019
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Ingår i: Applied Surface Science. - : Elsevier BV. - 0169-4332 .- 1873-5584. ; 482, s. 1-93
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Tidskriftsartikel (refereegranskat)abstract
- At the end of a rush lasting over half a century, in which CMOS technology has been experiencing a constant and breathtaking increase of device speed and density, Moore’s law is approaching the insurmountable barrier given by the ultimate atomic nature of matter. A major challenge for 21st century scientists is finding novel strategies, concepts and materials for replacing silicon-based CMOS semiconductor technologies and guaranteeing a continued and steady technological progress in next decades. Among the materials classes candidate to contribute to this momentous challenge, oxide films and heterostructures are a particularly appealing hunting ground. The vastity, intended in pure chemical terms, of this class of compounds, the complexity of their correlated behaviour, and the wealth of functional properties they display, has already made these systems the subject of choice, worldwide, of a strongly networked, dynamic and interdisciplinary research community. Oxide science and technology has been the target of a wide four-year project, named Towards Oxide-Based Electronics (TO-BE), that has been recently running in Europe and has involved as participants several hundred scientists from 29 EU countries. In this review and perspective paper, published as a final deliverable of the TO-BE Action, the opportunities of oxides as future electronic materials for Information and Communication Technologies ICT and Energy are discussed. The paper is organized as a set of contributions, all selected and ordered as individual building blocks of a wider general scheme. After a brief preface by the editors and an introductory contribution, two sections follow. The first is mainly devoted to providing a perspective on the latest theoretical and experimental methods that are employed to investigate oxides and to produce oxide-based films, heterostructures and devices. In the second, all contributions are dedicated to different specific fields of applications of oxide thin films and heterostructures, in sectors as data storage and computing, optics and plasmonics, magnonics, energy conversion and harvesting, and power electronics.
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| 2. |
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| 3. |
- Karis, O., et al.
(författare)
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Observation of short- and long-range hybridization of a buried Cu monolayer in Ni
- 2000
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Ingår i: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 62:24, s. R16239-R16242
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structure of a Cu monolayer buried in Ni fcc(100) is studied by means of x-ray emission and absorption spectroscopies in combination with first principles calculations. The local character of the x-ray probes allows us to investigate changes in the chemical interaction for these ultrathin film systems. In comparison to bulk Cu, the occupied d states of a buried Cu monolayer, as mapped in the x-ray emission spectrum, remain mostly unaltered. The absorption spectrum on the other hand shows that the empty states of the buried Cu monolayer are modified, and instead resemble the unoccupied electronic density of bulk Ni. These findings agree well with our first principle electronic structure calculations and the results are interpreted in terms of short- and long-range hybridization.
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| 4. |
- Karis, O, et al.
(författare)
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Probing surface states of Cu/Ni thin films using x-ray absorption spectroscopy
- 2001
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 63:11
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Tidskriftsartikel (refereegranskat)abstract
- Surface and interface properties of Cu thin films (1–4 monolayers) deposited on Ni(100) have been extracted by means of x-ray absorption spectroscopy and analyzed in combination with ab initio density-functional calculations. An unoccupied Cu surface state is identified in an x-ray absorption spectra and studied as a function of film thickness. Experimental data is supported by calculations of the layer-resolved density of states and the results from this combined theoretical-experimental effort show that the surface state is almost entirely located on the atomic layer closest to the vacuum. Our results also indicate strong hybridization between unoccupied states at the Cu/Ni interface boundary.
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| 5. |
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| 6. |
- Gonzalez-Borrero, P. P., et al.
(författare)
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Optical band-gap determination of nanostructured WO3 film
- 2010
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 96:6
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Tidskriftsartikel (refereegranskat)abstract
- The optical band-gap energy of a nanostructured tungsten trioxide film is determined using the photoacoustic spectroscopy method under continuous light excitation. The mechanism of the photoacoustic signal generation is discussed. The band-gap energy is also computed by other methods. The absorption coefficient as well as the band-gap energy of three different crystal structures of tungsten trioxide is calculated by a first-principles Green's function approach using the projector augmented wave method. The theoretical study indicates that the cubic crystal structure shows good agreement with the experimental data.
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| 7. |
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| 8. |
- Purwandari, F. A., et al.
(författare)
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Pretreatment of oil palm empty fruit bunch (OPEFB) by N-methylmorpholine-N-oxide (NMMO) for biogas production: Structural changes and digestion improvement
- 2013
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Ingår i: Bioresource Technology. - : Elsevier BV. - 0960-8524 .- 1873-2976. ; 128, s. 461-466
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Tidskriftsartikel (refereegranskat)abstract
- Pretreatment of OPEFB (oil palm empty fruit bunch) by NMMO (N-methylmorpholine-N-oxide) on its subsequent digestions was investigated. The pretreatments were carried out at 90 and 120 degrees C for 1, 3, and 5 h in three different modes of dissolution (by 85% NMMO solution), ballooning (79% NMMO solution), and swelling (73% NMMO solution). The total solid recovery after the pretreatment was 89-94%. The pretreatment process did not have a major impact on the composition of OPEFB, other than a reduction of ash from 5.4% up to 1.3%. The best improvement in biogas production was achieved by a dissolution mode pretreatment of OPEFB, using conditions of 85% NMMO, 3 h, and 120 degrees C. It resulted in 0.408 Nm(3)/kg VS methane yield and 0.032 Nm(3) CH4/kg VS/day initial methane production rate, which correspond in improving by 48% and 167% compared to the untreated OPEFB, respectively.
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| 9. |
- Skorodumova, N.V., et al.
(författare)
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Random conductivity of d- Bi2O3 films
- 2005
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 86:24, s. 241910-
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Tidskriftsartikel (refereegranskat)abstract
- The experimental investigation of the cubic d- Bi2 O3 phase grown on a (110) Au substrate at low temperature has disclosed a chaotic character of the conductivity at low voltage and temperature. Based on first-principles calculations, we show that the conductivity of this oxide strongly depends on the distribution of oxygen ions and that oxygen migration is able to cause a momentary switch of the conduction mechanism. © 2005 American Institute of Physics.
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| 10. |
- Finkelstein, Joshua, et al.
(författare)
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Mixed Precision Fermi-Operator Expansion on Tensor Cores from a Machine Learning Perspective
- 2021
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Ingår i: Journal of Chemical Theory and Computation. - : American Chemical Society (ACS). - 1549-9618 .- 1549-9626. ; 17:4, s. 2256-2265
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Tidskriftsartikel (refereegranskat)abstract
- We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for half-precision floating point operations on Nvidia’s A100 tensor core units. The second-order recursive Fermi-operator scheme is formulated in terms of a generalized, differentiable deep neural network structure, which solves the quantum mechanical electronic structure problem. We demonstrate how this network can be accelerated by optimizing the weight and bias values to substantially reduce the number of layers required for convergence. We also show how this machine learning approach can be used to optimize the coefficients of the recursive Fermi-operator expansion to accurately represent the fractional occupation numbers of the electronic states at finite temperatures.
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