| 1. |
- Dubrovinsky, L. S., et al.
(författare)
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Materials science - The hardest known oxide
- 2001
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Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 410:6829, s. 653-654
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Tidskriftsartikel (refereegranskat)
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| 2. |
- Zarechnaya, E Yu, et al.
(författare)
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Superhard Semiconducting Optically Transparent High Pressure Phase of Boron
- 2009
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Ingår i: PHYSICAL REVIEW LETTERS. - 0031-9007. ; 102:18, s. 185501-
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Tidskriftsartikel (refereegranskat)abstract
- An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9 GPa and high temperature, and it was demonstrated to be stable at least up to 30 GPa. The structure, determined by single-crystal x-ray diffraction, consists of B-12 icosahedra and B-2 dumbbells. The charge density distribution obtained from experimental data and ab initio calculations suggests covalent chemical bonding in this phase. Strong covalent interatomic interactions explain the low compressibility value (bulk modulus is K-300=227 GPa) and high hardness of high-pressure boron (Vickers hardness H-V=58 GPa), after diamond the second hardest elemental material.
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| 3. |
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| 4. |
- Bykov, M., et al.
(författare)
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Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains
- 2018
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Ingår i: Nature Communications. - : NATURE PUBLISHING GROUP. - 2041-1723. ; 9
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Tidskriftsartikel (refereegranskat)abstract
- Poly-nitrogen compounds have been considered as potential high energy density materials for a long time due to the large number of energetic N-N or N=N bonds. In most cases high nitrogen content and stability at ambient conditions are mutually exclusive, thereby making the synthesis of such materials challenging. One way to stabilize such compounds is the application of high pressure. Here, through a direct reaction between Fe and N-2 in a laser-heated diamond anvil cell, we synthesize three ironnitrogen compounds Fe3N2, FeN2 and FeN4. Their crystal structures are revealed by single-crystal synchrotron X-ray diffraction. Fe3N2, synthesized at 50 GPa, is isostructural to chromium carbide Cr3C2. FeN2 has a marcasite structure type and features covalently bonded dinitrogen units in its crystal structure. FeN4, synthesized at 106 GPa, features polymeric nitrogen chains of [N-4(2-)](n) units. Based on results of structural studies and theoretical analysis, [N-4(2-)](n) units in this compound reveal catena-poly[tetraz-1-ene-1,4-diyl] anions.
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| 5. |
- Bykova, E., et al.
(författare)
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Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts
- 2018
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Ingår i: Nature Communications. - : NATURE PUBLISHING GROUP. - 2041-1723. ; 9
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Tidskriftsartikel (refereegranskat)abstract
- Modelling of processes involving deep Earth liquids requires information on their structures and compression mechanisms. However, knowledge of the local structures of silicates and silica (SiO2) melts at deep mantle conditions and of their densification mechanisms is still limited. Here we report the synthesis and characterization of metastable high-pressure silica phases, coesite-IV and coesite-V, using in situ single-crystal X-ray diffraction and ab initio simulations. Their crystal structures are drastically different from any previously considered models, but explain well features of pair-distribution functions of highly densified silica glass and molten basalt at high pressure. Built of four, five-, and six-coordinated silicon, coesite-IV and coesite-V contain SiO6 octahedra, which, at odds with 3rd Paulings rule, are connected through common faces. Our results suggest that possible silicate liquids in Earths lower mantle may have complex structures making them more compressible than previously supposed.
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| 6. |
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| 7. |
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| 8. |
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| 9. |
- Dubrovinskaia, N., et al.
(författare)
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Beating the miscibility barrier between iron group elements and magnesium by high-pressure alloying
- 2005
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 95:24
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Tidskriftsartikel (refereegranskat)abstract
- Iron and magnesium are almost immiscible at ambient pressure. The low solubility of Mg in Fe is due to a very large size mismatch between the alloy components. However, the compressibility of Mg is much higher than that of Fe, and therefore the difference in atomic sizes between elements decreases dramatically with pressure. Based on the predictions of ab initio calculations, we demonstrate in a series of experiments in a multianvil apparatus and in electrically and laser-heated diamond anvil cells that high pressure promotes solubility of magnesium in iron. At the megabar pressure range, more than 10 at. % of Mg can dissolve in Fe and then the alloy can be quenched to ambient conditions. A generality of the concept of high-pressure alloying between immiscible elements is demonstrated by its application to two other Fe group elements, Co and Ni.
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| 10. |
- Dubrovinskaia, N., et al.
(författare)
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Compressibility of boron-doped diamond
- 2006
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Ingår i: High Pressure Research. - : Informa UK Limited. - 0895-7959 .- 1477-2299. ; 26, No. 2, s. 79-85
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Tidskriftsartikel (refereegranskat)
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| 11. |
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| 12. |
- Dubrovinsky, L., et al.
(författare)
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Iron-silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle
- 2003
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Ingår i: Nature. - : Springer Science and Business Media LLC. - 0028-0836 .- 1476-4687. ; 422:6927, s. 58-61
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Tidskriftsartikel (refereegranskat)abstract
- The boundary between the Earth's metallic core and its silicate mantle is characterized by strong lateral heterogeneity and sharp changes in density, seismic wave velocities, electrical conductivity and chemical composition(1-7). To investigate the composition and properties of the lowermost mantle, an understanding of the chemical reactions that take place between liquid iron and the complex Mg-Fe-Si-Al-oxides of the Earth's lower mantle is first required(8-15). Here we present a study of the interaction between iron and silica (SiO2) in electrically and laser-heated diamond anvil cells. In a multianvil apparatus at pressures up to 140 GPa and temperatures over 3,800 K we simulate conditions down to the core-mantle boundary. At high temperature and pressures below 40 GPa, iron and silica react to form iron oxide and an iron-silicon alloy, with up to 5 wt% silicon. At pressures of 85-140 GPa, however, iron and SiO2 do not react and iron-silicon alloys dissociate into almost pure iron and a CsCl-structured (B2) FeSi compound. Our experiments suggest that a metallic silicon-rich B2 phase, produced at the core-mantle boundary (owing to reactions between iron and silicate(2,9,10,13)), could accumulate at the boundary between the mantle and core and explain the anomalously high electrical conductivity of this region(6).
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| 13. |
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| 14. |
- Dubrovinsky, L., et al.
(författare)
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Noblest of all metals is structurally unstable at high pressure
- 2007
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 98:4
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Tidskriftsartikel (refereegranskat)abstract
- In a series of experiments in externally electrically heated diamond anvil cells we demonstrate that at pressures above similar to 240 GPa gold adopts a hexagonal-close-packed structure. Ab initio calculations predict that at pressures about 250 GPa different stacking sequences of close-packed atomic layers in gold become virtually degenerate in energy, strongly supporting the experimental observations.
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| 15. |
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| 16. |
- Dubrovinsky, L, et al.
(författare)
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Pressure-induced invar effect in Fe-Ni alloys
- 2001
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Ingår i: PHYSICAL REVIEW LETTERS. - 0031-9007. ; 86:21, s. 4851-4854
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Tidskriftsartikel (refereegranskat)abstract
- We have measured the pressure-volume (P-V) relations for cubic iron-nickel alloys for three different compositions: Fe0.64Ni0.36, Fe0.55Ni0.45, and Fe0.20Ni0.80. It is observed that for a certain pressure range the bulk modulus does not change or can even
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| 17. |
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| 18. |
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| 19. |
- Dubrovinsky, L, et al.
(författare)
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Stability of (Mg0.5Fe0.5)O and (Mg0.8Fe0.2)O magnesiowustites in the lower mantle
- 2001
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Ingår i: EUROPEAN JOURNAL OF MINERALOGY. - : E SCHWEIZERBARTSCHE VERLAGS. - 0935-1221. ; 13:5, s. 857-861
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Tidskriftsartikel (refereegranskat)abstract
- We have heated magnesiowtistites (Mg0.5Fe0.5)O and (Mg0.8Fe0.2)O to temperatures of over 1000 K at pressures of over 80 GPa simulating the stability of the solid solution at physical conditions relevant to the Earth's lower mantle. The X-ray study of the
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| 20. |
- Dubrovinsky, L., et al.
(författare)
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The most incompressible metal osmium at static pressures above 750 gigapascals
- 2015
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Ingår i: Nature. - : NATURE PUBLISHING GROUP. - 0028-0836 .- 1476-4687. ; 525:7568, s. 226-
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Tidskriftsartikel (refereegranskat)abstract
- Metallic osmium (Os) is one of the most exceptional elemental materials, having, at ambient pressure, the highest known density and one of the highest cohesive energies and melting temperatures(1). It is also very incompressible(2-4), but its high-pressure behaviour is not well understood because it has been studied(2-6) so far only at pressures below 75 gigapascals. Here we report powder X-ray diffraction measurements on Os at multi-megabar pressures using both conventional and double-stage diamond anvil cells(7), with accurate pressure determination ensured by first obtaining self-consistent equations of state of gold, platinum, and tungsten in static experiments up to 500 gigapascals. These measurements allow us to show that Os retains its hexagonal close-packed structure upon compression to over 770 gigapascals. But although its molar volume monotonically decreases with pressure, the unit cell parameter ratio of Os exhibits anomalies at approximately 150 gigapascals and 440 gigapascals. Dynamical mean-field theory calculations suggest that the former anomaly is a signature of the topological change of the Fermi surface for valence electrons. However, the anomaly at 440 gigapascals might be related to an electronic transition associated with pressure-induced interactions between core electrons. The ability to affect the core electrons under static high-pressure experimental conditions, even for incompressible metals such as Os, opens up opportunities to search for new states of matter under extreme compression.
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| 21. |
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| 22. |
- Isaev, Eyvas, et al.
(författare)
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Impact of lattice vibrations on equation of state of the hardest boron phase
- 2011
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 83:13, s. 132106-
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Tidskriftsartikel (refereegranskat)abstract
- An accurate equation of state (EOS) is determined for the high-pressure orthorhombic phase of boron, B(28), experimentally as well as from ab initio calculations. The unique feature of our experiment is that it is carried out on the single crystal of B(28). In theory, we take into consideration the lattice vibrations, often neglected in first-principles simulations. We show that the phonon contribution has a profound effect on the EOS of B(28), giving rise to anomalously low values of the pressure derivative of the bulk modulus and greatly improving the agreement between theory and experiment.
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| 23. |
- Mattesini, M., et al.
(författare)
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Cubic TiO2 as a potential light absorber in solar-energy conversion
- 2004
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 70:11
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Tidskriftsartikel (refereegranskat)abstract
- Materials are currently sought for use in the photo-induced decomposition of water on crystalline electrodes. Titanium dioxide is valuable in this respect. The electronic structural properties of cubic TiO2 polymorphs were investigated by means of first-principles methods. We demonstrate that both fluorite- and pyrite-type TiO2 have important optical absorptive transitions in the region of the visible light. A cubic TiO2 phase that can efficiently absorb the sunlight would be an important candidate material for the development of the solar cells. Also, we present results on the Ti L edges for the two different titania forms. We predict that a qualitative spectroscopic discrimination of the cubic polymorphs can be achieved by following the Ti 2p → 3d x-ray transitions.
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| 24. |
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| 25. |
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| 26. |
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| 27. |
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| 28. |
- Norrby, Niklas, et al.
(författare)
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High pressure and high temperature stabilization of cubic AlN in Ti0.60Al0.40N
- 2013
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Ingår i: Journal of Applied Physics. - : American Institute of Physics (AIP). - 0021-8979 .- 1089-7550. ; 113:5
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Tidskriftsartikel (refereegranskat)abstract
- In the present work, the decomposition of unstable arc evaporated Ti0.6Al0.4N at elevated temperatures and quasihydrostatic pressures has been studied both experimentally and by first-principles calculations. High pressure and high temperature (HPHT) treatment of the samples was realized using the multi anvil press and diamond anvil cell techniques. The products of the HPHT treatment of Ti0.6Al0.4N were investigated using x-ray diffractometry and transmission electron microscopy. Complimentary calculations show that both hydrostatic pressure and high temperature stabilize the cubic phase of AlN, which is one of the decomposition products of Ti0.6Al0.4N. This is in agreement with the experimental results which in addition suggest that the presence of Ti in the system serves to increase the stability region of the cubic c-AlN phase. The results are industrially important as they show that Ti0.6Al0.4N coatings on cutting inserts do not deteriorate faster under pressure due to the cubic AlN to hexagonal AlN transformation.
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| 29. |
- Ponomareva, A. V., et al.
(författare)
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Influence of global magnetic state on chemical interactions in high-pressure high-temperature synthesis of B2 Fe2Si
- 2009
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 94:18
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Tidskriftsartikel (refereegranskat)abstract
- We show that effective chemical interactions in an alloy can be tuned by its global magnetic state, which opens exciting possibilities for materials synthesis. Using first-principles theory we demonstrate that at pressure of 20 GPa and at high temperatures, the effective chemical interactions in paramagnetic Fe-Si system are strongly influenced by the magnetic disorder favoring a formation of cubic Fe2Si phase with B2 structure, which is not present in the alloy phase diagram. Our experiments confirm theoretical predictions, and the B2 Fe2Si alloy is synthesized from Fe-Si mixture using multianvil press.
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| 30. |
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