|
Records |
Links |
|
Author |
Hadermann, J.; Abakumov, A.M. |
|
|
Title |
Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
And Materials |
Abbreviated Journal |
|
|
|
Volume |
75 |
Issue |
4 |
Pages |
485-494 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000480512600002 |
Publication Date |
2019-08-05 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:161846 |
Serial |
5397 |
|
Permanent link to this record |
|
|
|
|
Author |
Tsirlin, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Bougerol, C.; Hadermann, J.; Van Tendeloo, G.; Schnelle, W.; Rosner, H. |
|
|
Title |
Spin ladder compound Pb0.55Cd0.45V2O5: synthesis and investigation |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
76 |
Issue |
10 |
Pages |
104429,1-7 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000249786300074 |
Publication Date |
2007-09-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
|
Call Number |
UA @ lucian @ c:irua:65594 |
Serial |
3091 |
|
Permanent link to this record |
|
|
|
|
Author |
Nikolaev, I.V.; d' Hondt, H.; Abakumov, A.M.; Hadermann, J.; Balagurov, A.M.; Bobrikov, I.A.; Sheptyakov, D.V.; Pomjakushin, V.Y.; Pokholok, K.V.; Filimonov, D.S.; Van Tendeloo, G.; Antipov, E.V. |
|
|
Title |
Crystal structure, phase transition, and magnetic ordering in perovskitelike Pb2-xBaxFe2O5 solid solutions |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
78 |
Issue |
2 |
Pages |
024426,1-12 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000258190200085 |
Publication Date |
2008-07-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
|
|
|
Notes |
Iap Vi |
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
|
|
Call Number |
UA @ lucian @ c:irua:70580 |
Serial |
576 |
|
Permanent link to this record |
|
|
|
|
Author |
Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A. |
|
|
Title |
Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) |
Abbreviated Journal |
Acta Crystallogr B |
|
|
Volume |
78 |
Issue |
1 |
Pages |
|
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1). |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000752899700003 |
Publication Date |
2022-01-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2052-5206 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.9 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 1.9 |
|
|
Call Number |
UA @ admin @ c:irua:186529 |
Serial |
6962 |
|
Permanent link to this record |
|
|
|
|
Author |
Kovba, M.L.; Skolis, Y.Y.; Abakumov, A.M.; Hadermann, J.; Sukhushina, I.S. |
|
|
Title |
The synthesis and thermodynamic properties of strontium fluoromanganite Sr2.5Mn6O12.5-\deltaF2 |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Russian journal of physical chemistry A |
Abbreviated Journal |
Russ J Phys Chem A+ |
|
|
Volume |
84 |
Issue |
12 |
Pages |
2033-2038 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The existence of the [SrF(0.8)O(0.1)](2.5)[Mn(6)O(12)] = Sr(2.5)Mn(6)O(12.5 – delta)F(2) compound was established in the SrO-Mn(2)O(3)-SrF(2) system at 900A degrees C and p(O(2)) = 1 atm. The crystal structure of strontium fluoromanganite was determined from the X-ray powder diffraction data, electron diffraction, and high-resolution electron microscopy. It can be described in the monoclynic system with four Miller hklm indices: hklm: H = h a* + k b* + l c (1) (*) + m q (1), q (1), q (1) = c (2) (*) = gamma c (1) (*) , gamma a parts per thousand 0.632, a a parts per thousand a a parts per thousand 9.72 , b a parts per thousand 9.55 , c (1) a parts per thousand 2.84 , c (2) a parts per thousand 4.49 , monoclinic angle gamma a parts per thousand 95.6A degrees. The electromotive force method with a solid fluorine ion electrolyte was used to refine the composition of fluoromanganite and determine the thermodynamic functions of its formation from phases neighboring in the phase diagram (SrMn(3)O(6), Mn(2)O(3), SrF(2), and oxygen), Delta GA degrees, kJ/mol = -(111.7 +/- 1.9) + (89.5 +/- 1.5) x 10(-3) T. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000284775000004 |
Publication Date |
2011-02-11 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0036-0244;1531-863X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
0.581 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 0.581; 2010 IF: 0.503 |
|
|
Call Number |
UA @ lucian @ c:irua:99190 |
Serial |
3601 |
|
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Batuk, D.; Tsirlin, A.A.; Prescher, C.; Dubrovinsky, L.; Sheptyakov, D.V.; Schnelle, W.; Hadermann, J.; Van Tendeloo, G. |
|
|
Title |
Frustrated pentagonal Cairo lattice in the non-collinear antiferromagnet Bi4Fe5O13F |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
87 |
Issue |
2 |
Pages |
024423-24429 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
We report on the crystal structure and magnetism of the iron-based oxyfluoride Bi4Fe5O13F, a material prototype of the Cairo pentagonal spin lattice. The crystal structure of Bi4Fe5O13F is determined by a combination of neutron diffraction, synchrotron x-ray diffraction, and transmission electron microscopy. It comprises layers of FeO6 octahedra and FeO4 tetrahedra forming deformed pentagonal units. The topology of these layers resembles a pentagonal least-perimeter tiling, which is known as the Cairo lattice. This topology gives rise to frustrated exchange couplings and underlies a sequence of magnetic transitions at T-1 = 62 K, T-2 = 71 K, and T-N = 178 K, as determined by thermodynamic measurements and neutron diffraction. Below T-1, Bi4Fe5O13F forms a fully ordered non-collinear antiferromagnetic structure, whereas the magnetic state between T-1 and T-N may be partially disordered according to the sizable increase in the magnetic entropy at T-1 and T-2. Bi4Fe5O13F reveals unanticipated magnetic transitions on the pentagonal Cairo spin lattice and calls for a further work on finite-temperature properties of this strongly frustrated spin model. DOI: 10.1103/PhysRevB.87.024423 |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000314224800002 |
Publication Date |
2013-02-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
|
Call Number |
UA @ lucian @ c:irua:107688 |
Serial |
1293 |
|
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V. |
|
|
Title |
Chemistry and structure of anion-deficient perovskites with translational interfaces |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of the American Ceramic Society |
Abbreviated Journal |
J Am Ceram Soc |
|
|
Volume |
91 |
Issue |
6 |
Pages |
1807-1813 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Columbus, Ohio |
Editor |
|
|
|
Language |
|
Wos |
000256410700010 |
Publication Date |
2008-04-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7820;1551-2916; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.841 |
Times cited |
39 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.841; 2008 IF: 2.101 |
|
|
Call Number |
UA @ lucian @ c:irua:70088 |
Serial |
355 |
|
Permanent link to this record |
|
|
|
|
Author |
Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-navarro, N.C.; Miura, A.; Tadanaga, K. |
|
|
Title |
CO₂ electrochemical reduction with Zn-Al layered double hydroxide-loaded gas-diffusion electrode |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Electrochemistry |
Abbreviated Journal |
|
|
|
Volume |
91 |
Issue |
9 |
Pages |
097003-97007 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001082818000001 |
Publication Date |
2023-09-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:200340 |
Serial |
9009 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhang, F.; Chevalier, J.; Olagnon, C.; Batuk, M.; Hadermann, J.; Van Meerbeek, B.; Vleugels, J. |
|
|
Title |
Grain-boundary engineering for aging and slow-crack-growth resistant zirconia |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of dental research |
Abbreviated Journal |
J Dent Res |
|
|
Volume |
96 |
Issue |
7 |
Pages |
774-779 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Ceramic materials are prone to slow crack growth, resulting in strength degradation over time. Although yttria-stabilized zirconia (Y-TZP) ceramics have higher crack resistance than other dental ceramics, their aging susceptibility threatens their long-term performance in aqueous environments such as the oral cavity. Unfortunately, increasing the aging resistance of Y-TZP ceramics normally reduces their crack resistance. Our recently conducted systematic study of doping 3Y-TZP with various trivalent cations revealed that lanthanum oxide (La2O3) and aluminum oxide (Al2O3) have the most potent effect to retard the aging kinetics of 3Y-TZP. In this study, the crack-propagation behavior of La2O3 and Al2O3 co-doped 3Y-TZP ceramics was investigated by double-torsion methods. The grain boundaries were examined using scanning transmission electron microscopy and energy-dispersive spectroscopy (STEM-EDS). Correlating these analytic data with hydrothermal aging studies using different doping systems, a strategy to strongly bind the segregated dopant cations with the oxygen vacancies at the zirconia-grain boundary was found to improve effectively the aging resistance of Y-TZP ceramics without affecting the resistance to crack propagation. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
St. Louis, Mo. |
Editor |
|
|
|
Language |
|
Wos |
000403934500010 |
Publication Date |
2017-03-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-0345 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.755 |
Times cited |
3 |
Open Access |
Not_Open_Access |
|
|
Notes |
; This research was supported by the Research Fund of KU Leuven under project 0T/ 10/052 and the Research Foundation-Flanders (FWO-Vlaanderen) under grant G.0431.10N. We thank J.W. Seo for TEM and sample preparations. F. Zhang thanks the Research Fund of KU Leuven for her postdoctoral fellowship (PDM/15/153) and the JECS-Trust for the travel grant (No. 201599) to perform double-torsion testing in the MATEIS lab of INSA, Lyon, France. Jerome Chevalier would like to dedicate this paper to Maria Cattani Lorente, who recently passed away under tragic conditions. She was deeply involved in the study of dental zirconia and we will miss her. The authors declare no potential conflicts of interest with respect to the authorship and/or publication of this article. ; |
Approved |
Most recent IF: 4.755 |
|
|
Call Number |
UA @ lucian @ c:irua:144161 |
Serial |
4660 |
|
Permanent link to this record |
|
|
|
|
Author |
Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T.A.L.; Lippertz, G.; Trekels, M.; Menendez, E.; Kremer, F.; Wahl, U.; Costa, A.R.G.; Correia, J.G.; Banerjee, D.; Gunnlaugsson, H.P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M.J.; Hadermann, J.; Araujo, J.P.; Temst, K.; Vantomme, A.; Pereira, L.M.C. |
|
|
Title |
Evidence of tetragonal distortion as the origin of the ferromagnetic ground state in gamma-Fe nanoparticles |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
96 |
Issue |
17 |
Pages |
174410 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
<script type='text/javascript'>document.write(unpmarked('gamma-Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of gamma-Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mossbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a = 3.76(2) angstrom and c = 3.50(2) angstrom, and a magnetic moment of 2.45(5) mu(B) per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured gamma-Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of gamma-Fe taking tetragonal distortion into account.')); |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
|
|
Language |
|
Wos |
000414525200005 |
Publication Date |
2017-11-07 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
OpenAccess |
|
|
Notes |
; The authors thank the Fund for Scientific Research-Flanders, the Concerted Research Action of the KU Leuven (GOA/14/007), the KU Leuven BOF (STRT/14/002), the Hercules Foundation, the Portuguese Foundation for Science and Technology (CERN/FIS-NUC/0004/2015), and the European Union Seventh Framework through ENSAR2 (European Nuclear Science and Applications Research, Project No. 654002), and SPIRIT (Support of Public and Industrial Research Using Ion Beam Technology, Contract No. 227012). We acknowledge the European Synchrotron Radiation Facility (ESRF) for providing beam time (experiments 26-01-1018, 26-01-1057, 20-02-728, HC-1850, HC-2208), as well as C. Baehtz, N. Boudet, and N. Blancand for support during the experiments. We acknowledge the ISOLDE-CERN facility for providing beam time (experiment IS580) and technical assistance. The authors (L.M.C.P., F.K.) acknowledge the facilities and the scientific and technical assistance of the Australian Microscopy & Microanalysis Research Facility at the Centre for Advanced Microscopy, Australian National University. We also acknowledge the contribution of Prof. Mark Ridgway (Australian National University), who passed away before the work was completed. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:147387 |
Serial |
4873 |
|
Permanent link to this record |
|
|
|
|
Author |
Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O. |
|
|
Title |
Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
|
|
|
Volume |
98 |
Issue |
23 |
Pages |
235110 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000452322800003 |
Publication Date |
2018-12-05 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:156240 |
Serial |
7462 |
|
Permanent link to this record |
|
|
|
|
Author |
Turner, S.; Egoavil, R.; Batuk, M.; Abakumov, A.A.; Hadermann, J.; Verbeeck, J.; Van Tendeloo, G. |
|
|
Title |
Site-specific mapping of transition metal oxygen coordination in complex oxides |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
101 |
Issue |
24 |
Pages |
241910 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
We demonstrate site-specific mapping of the oxygen coordination number for transition metals in complex oxides using atomically resolved electron energy-loss spectroscopy in an aberration-corrected scanning transmission electron microscope. Pb2Sr2Bi2Fe6O16 contains iron with a constant Fe3+ valency in both octahedral and tetragonal pyramidal coordination and is selected to demonstrate the principle of site-specific coordination mapping. Analysis of the site-specific Fe-L2,3 data reveals distinct variations in the fine structure that are attributed to Fe in a six-fold (octahedron) or five-fold (distorted tetragonal pyramid) oxygen coordination. Using these variations, atomic resolution coordination maps are generated that are in excellent agreement with simulations. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000312490000035 |
Publication Date |
2012-12-12 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.411 |
Times cited |
12 |
Open Access |
|
|
|
Notes |
Fwo; Countatoms; Vortex; Esteem 312483; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
|
|
Call Number |
UA @ lucian @ c:irua:105302UA @ admin @ c:irua:105302 |
Serial |
3030 |
|
Permanent link to this record |
|
|
|
|
Author |
Poltavets, V.V.; Lokshin, K.A.; Nevidomskyy, A.H.; Croft, M.; Tyson, T.A.; Hadermann, J.; Van Tendeloo, G.; Egami, T.; Kotliar, G.; ApRoberts-Warren, N.; Dioguardi, A.P.; Curro, N.J.; Greenblatt, M.; |
|
|
Title |
Bulk magnetic order in a two-dimensional Ni1+/Ni2+ (d9/d8) nickelate, isoelectronic with superconducting cuprates |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
|
Volume |
104 |
Issue |
20 |
Pages |
206403 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The Ni(1+)/Ni(2+) states of nickelates have the identical (3d(9)/3d(8)) electronic configuration as Cu(2+)/Cu(3+) in the high temperature superconducting cuprates, and are expected to show interesting properties. An intriguing question is whether mimicking the electronic and structural features of cuprates would also result in superconductivity in nickelates. Here we report experimental evidence for a bulklike magnetic transition in La(4)Ni(3)O(8) at 105 K. Density functional theory calculations relate the transition to a spin density wave nesting instability of the Fermi surface. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000277945900033 |
Publication Date |
2010-05-19 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
8.462 |
Times cited |
35 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 8.462; 2010 IF: 7.622 |
|
|
Call Number |
UA @ lucian @ c:irua:95613 |
Serial |
260 |
|
Permanent link to this record |
|
|
|
|
Author |
Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. |
|
|
Title |
Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
|
Volume |
105 |
Issue |
18 |
Pages |
183903 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000345000000086 |
Publication Date |
2014-11-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.411 |
Times cited |
17 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
|
|
Call Number |
UA @ lucian @ c:irua:121329 |
Serial |
2038 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhang, F.; Batuk, M.; Hadermann, J.; Manfredi, G.; Mariën, A.; Vanmeensel, K.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J. |
|
|
Title |
Effect of cation dopant radius on the hydrothermal stability of tetragonal zirconia: Grain boundary segregation and oxygen vacancy annihilation |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
|
|
Volume |
106 |
Issue |
106 |
Pages |
48-58 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The hydrothermal aging stability of 3Y-TZP-xM2O3 (M = La, Nd, Sc) was investigated as a function of 0.02–5 mol% M2O3 dopant content and correlated to the overall phase content, t-ZrO2 lattice parameters, grain size distribution, grain boundary chemistry and ionic conductivity.
The increased aging stability with increasing Sc2O3 content and the optimum content of 0.4–0.6 mol% Nd2O3 or 0.2–0.4 mol% La2O3, resulting in the highest aging resistance, could be directly related to the constituent phases and the lattice parameters of the remaining tetragonal zirconia.
At low M2O3 dopant contents ≤0.4 mol%, the different aging behavior of tetragonal zirconia was attributed to the defect structure of the zirconia grain boundary which was influenced by the dopant cation radius. It was observed that the grain boundary ionic resistivity and the aging resistance followed the same trend: La3+ > Nd3+ > Al3+ > Sc3+, proving that hydrothermal aging is driven by the diffusion of water-derived mobile species through the oxygen vacancies. Accordingly, we elucidated the underlying mechanism by which a larger trivalent cation segregating at the zirconia grain boundary resulted in a higher aging resistance. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000371650300006 |
Publication Date |
2016-01-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
5.301 |
Times cited |
37 |
Open Access |
|
|
|
Notes |
The authors acknowledge the Research Fund of KU Leuven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post-doctoral fellowship (PDM/15/153). |
Approved |
Most recent IF: 5.301 |
|
|
Call Number |
c:irua:132435 |
Serial |
4076 |
|
Permanent link to this record |
|
|
|
|
Author |
Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Filonenko, V.P.; Gonnissen, J.; Tan, H.; Verbeeck, J.; Gemmi, M.; Antipov, E.V.; Rosner, H. |
|
|
Title |
Direct space structure solution from precession electron diffraction data: resolving heavy and light scatterers in Pb13Mn9O25 |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
|
Volume |
110 |
Issue |
7 |
Pages |
881-890 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The crystal structure of a novel compound Pb13Mn9O25 has been determined through a direct space structure solution with a Monte-Carlo-based global optimization using precession electron diffraction data (a=14.177(3) Å, c=3.9320(7) Å, SG P4/m, RF=0.239) and compositional information obtained from energy dispersive X-ray analysis and electron energy loss spectroscopy. This allowed to obtain a reliable structural model even despite the simultaneous presence of both heavy (Pb) and light (O) scattering elements and to validate the accuracy of the electron diffraction-based structure refinement. This provides an important benchmark for further studies of complex structural problems with electron diffraction techniques. Pb13Mn9O25 has an anion- and cation-deficient perovskite-based structure with the A-positions filled by the Pb atoms and 9/13 of the B positions filled by the Mn atoms in an ordered manner. MnO6 octahedra and MnO5 tetragonal pyramids form a network by sharing common corners. Tunnels are formed in the network due to an ordered arrangement of vacancies at the B-sublattice. These tunnels provide sufficient space for localization of the lone 6s2 electron pairs of the Pb2+ cations, suggested as the driving force for the structural difference between Pb13Mn9O25 and the manganites of alkali-earth elements with similar compositions. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
000280050900023 |
Publication Date |
2010-04-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.843 |
Times cited |
24 |
Open Access |
|
|
|
Notes |
Fwo; Bof; Esteem |
Approved |
Most recent IF: 2.843; 2010 IF: 2.063 |
|
|
Call Number |
UA @ lucian @ c:irua:84085UA @ admin @ c:irua:84085 |
Serial |
721 |
|
Permanent link to this record |
|
|
|
|
Author |
Li, D.Y.; Zeng, Y.J.; Pereira, L.M.C.; Batuk, D.; Hadermann, J.; Zhang, Y.Z.; Ye, Z.Z.; Temst, K.; Vantomme, A.; Van Bael, M.J.; Van Haesendonck, C.; |
|
|
Title |
Anisotropic magnetism and spin-dependent transport in Co nanoparticle embedded ZnO thin films |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
114 |
Issue |
3 |
Pages |
033909-6 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Oriented Co nanoparticles were obtained by Co ion implantation in crystalline ZnO thin films grown by pulsed laser deposition. Transmission electron microscopy revealed the presence of elliptically shaped Co precipitates with nanometer size, which are embedded in the ZnO thin films, resulting in anisotropic magnetic behavior. The low-temperature resistance of the Co-implanted ZnO thin films follows the Efros-Shklovskii type variable-range-hopping. Large negative magnetoresistance (MR) exceeding 10% is observed in a magnetic field of 1 T at 2.5K and the negative MR survives up to 250K (0.3%). The negative MR reveals hysteresis as well as anisotropy that correlate well with the magnetic properties, clearly demonstrating the presence of spin-dependent transport. (C) 2013 AIP Publishing LLC. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000322202700071 |
Publication Date |
2013-07-17 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
|
|
Call Number |
UA @ lucian @ c:irua:110765 |
Serial |
126 |
|
Permanent link to this record |
|
|
|
|
Author |
Buffière, M.; Zaghi, A.E.; Lenaers, N.; Batuk, M.; Khelifi, S.; Drijkoningen, J.; Hamon, J.; Stesmans, A.; Kepa, J.; Afanas’ev, V.V.; Hadermann, J.; D’Haen, J.; Manca, J.; Vleugels, J.; Meuris, M.; Poortmans, J.; |
|
|
Title |
Effect of binder content in Cu-In-Se precursor ink on the physical and electrical properties of printed CuInSe2 solar cells |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
|
Volume |
118 |
Issue |
47 |
Pages |
27201-27209 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Printed chalcopyrite thin films have attracted considerable attention in recent years due to their potential in the high-throughput production of photovoltaic devices. To improve the homogeneity of printed CuInSe2 (CISe) layers, chemical additives such as binder can be added to the precursor ink. In this contribution, we investigate the influence of the dicyandiamide (DCDA) content, used as a binder in the precursor ink, on the physical and electrical properties of printed CISe solar cells. It is shown that the use of the binder leads to a dense absorber, composed of large CISe grains close to the surface, while the bulk of the layer consists of CISe crystallites embedded in a CuxS particle based matrix, resulting from the limited sintering of the precursor in this region. The expected additional carbon contamination of the CISe layer due to the addition of the binder appears to be limited, and the optical properties of the CISe layer are similar to the reference sample without additive. The electrical characterization of the corresponding CISe/CdS solar cells shows a degradation of the efficiency of the devices, due to a modification in the predominant recombination mechanisms and a limitation of the space charge region width when using the binder; both effects could be explained by the inhomogeneity of the bulk of the CISe absorber and high defect density at the CISe/CuxS-based matrix interface. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000345722400003 |
Publication Date |
2014-11-06 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
|
|
Call Number |
UA @ lucian @ c:irua:121332 |
Serial |
801 |
|
Permanent link to this record |
|
|
|
|
Author |
Ban, V.; Soloninin, A.V.; Skripov, A.V.; Hadermann, J.; Abakumov, A.; Filinchuk, Y. |
|
|
Title |
Pressure-Collapsed Amorphous Mg(BH4)(2): An Ultradense Complex Hydride Showing a Reversible Transition to the Porous Framework |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
|
Volume |
118 |
Issue |
40 |
Pages |
23402-23408 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Hydrogen-storage properties of complex hydrides depend of their form, such as a polymorphic form or an eutectic mixture. This Paper reports on an easy and reproducible way to synthesize a new stable form of magnesium borohydride by pressure-induced collapse of the porous gamma-Mg(BH4)(2). This amorphous complex hydride was investigated by temperature-programmed synchrotron X-ray diffraction (SXRD), transmission electron microscopy (TEM), thermogravimetric analysis, differential scanning calorimetry analysis, and Raman spectroscopy, and the dynamics of the BH4 reorientation was studied by spinlattice relaxation NMR spectroscopy. No long-range order is observed in the lattice region by Raman spectroscopy, while the internal vibration modes of the BH4 groups are the same as in the crystalline state. A hump at 4.9 angstrom in the SXRD pattern suggests the presence of nearly linear MgBH4 Mg fragments constituting all the known crystalline polymorphs of Mg(BH4)(2), which are essentially frameworks built of tetrahedral Mg nodes and linear BH4 linkers. TEM shows that the pressure-collapsed phase is amorphous down to the nanoscale, but surprisingly, SXRD reveals a transition at similar to 90 degrees C from the dense amorphous state (density of 0.98 g/cm(3)) back to the porous ? phase having only 0.55 g/cm(3) crystal density. The crystallization is slightly exothermic, with the enthalpy of -4.3 kJ/mol. The volumetric hydrogen density of the amorphous form is 145 g/L, one of the highest among hydrides. Remarkably, this form of Mg(BH4)2 has different reactivity compared to the crystalline forms. The parameters of the reorientational motion of BH4 groups in the amorphous Mg(BH4)(2) found from NMR measurements differ significantly from those in the known crystalline forms. The behavior of the nuclear spinlattice relaxation rates can be described in terms of a Gaussian distribution of the activation energies centered on 234 +/- 9 meV with the dispersion of 100 +/- 10 meV. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000343016800067 |
Publication Date |
2014-09-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1932-7447;1932-7455; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.536 |
Times cited |
23 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.536; 2014 IF: 4.772 |
|
|
Call Number |
UA @ lucian @ c:irua:121113 |
Serial |
2711 |
|
Permanent link to this record |
|
|
|
|
Author |
Sirotina, A.P.; Callaert, C.; Volykhov, A.A.; Frolov, A.S.; Sanchez-Barriga, J.; Knop-Gericke, A.; Hadermann, J.; Yashina, L.V. |
|
|
Title |
Mechanistic studies of gas reactions with multicomponent solids : what can we learn by combining NAP XPS and atomic resolution STEM/EDX? |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
|
|
Volume |
123 |
Issue |
43 |
Pages |
26201-26210 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Rapid development of experimental techniques has enabled real time studies of solid gas reactions at the level reaching the atomic scale. In the present paper, we focus on a combination of atomic resolution STEM/EDX, which visualizes the reaction zone, and near ambient pressure (NAP) XPS, which collects information for a surface layer of variable thickness under reaction conditions. We compare the behavior of two affined topological insulators, Bi2Te3 and Sb2Te3. We used a simple reaction with molecular oxygen occurring at 298 K, which is of practical importance to avoid material degradation. Despite certain limitations, a combination of in situ XPS and ex situ cross-sectional STEM/EDX allowed us to obtain a self-consistent picture of the solid gas reaction mechanism for oxidation of Sb2Te3 and Bi2Te3 crystals, which includes component redistribution between the oxide and the subsurface layer and Te segregation with formation of a thin ordered layer at the interface. The process is multistep in case of both compounds. At the very beginning of the oxidation process the reactivity is determined by the energy benefit of the corresponding element oxygen bond formation. Further in the oxidation process, the behavior of these two compounds becomes similar and features component redistribution between the oxide and the subsurface layer. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000493865700019 |
Publication Date |
2019-10-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.536 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.536 |
|
|
Call Number |
UA @ admin @ c:irua:164664 |
Serial |
6310 |
|
Permanent link to this record |
|
|
|
|
Author |
Piorra, A.; Hrkac, V.; Wolff, N.; Zamponi, C.; Duppel, V.; Hadermann, J.; Kienle, L.; Quandt, E. |
|
|
Title |
(Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 thin films prepared by PLD : relaxor properties and complex microstructure |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
125 |
Issue |
24 |
Pages |
244103 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Ferroelectric lead-free thin films of the composition (Ba0.85Ca0.15)(Ti0.9Zr0.1)O-3 (BCZT) were deposited by pulsed laser deposition on Pt/TiO2/SiO2/Si substrates using a ceramic BCZT target prepared by a conventional solid state reaction. The target material itself shows a piezoelectric coefficient of d(33)=640pm/V. The (111) textured thin films possess a thickness of up to 1.1 mu m and exhibit a clamped piezoelectric response f of up to 190pm/V, a dielectric coefficient of (r)=2000 at room temperature, and a pronounced relaxor behavior. As indicated by transmission electron microscopy, the thin films are composed of longitudinal micrometersized columns with similar to 100nm lateral dimension that are separated at twin- and antiphase boundaries. The superposition phenomena according to this columnar growth were simulated based on suitable supercells. The major structural component is described as a tetragonal distorted variant of the perovskite parent type; however, frequently coherently intergrown nanodomains were observed indicating a much more complex structure that is characterized by a 7-layer modulation along the growth direction of the films. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000474439600002 |
Publication Date |
2019-06-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
|
Open Access |
|
|
|
Notes |
; The authors want to thank Dr. Martina Luysberg and Dr. Lothar Houben from the Ernst Ruska Centre in Julich for discussion and CS-corrected microscopy. Funding of this work via the DFG (No. CRC1261) “Magnetoelectric Sensors: From Composite Materials to Biomagnetic Diagnostics” and the PAK902 is gratefully acknowledged. ; |
Approved |
Most recent IF: 2.068 |
|
|
Call Number |
UA @ admin @ c:irua:161310 |
Serial |
5399 |
|
Permanent link to this record |
|
|
|
|
Author |
Gál, Z.A.; Rutt, O.J.; Smura, C.F.; Overton, T.P.; Barrier, N.; Clarke, S.J.; Hadermann, J. |
|
|
Title |
Structural chemistry and metamagnetism of an homologous series of layered manganese oxysulfides |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
128 |
Issue |
26 |
Pages |
8530-8540 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000238590000040 |
Publication Date |
2006-06-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.858 |
Times cited |
39 |
Open Access |
|
|
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 13.858; 2006 IF: 7.696 |
|
|
Call Number |
UA @ lucian @ c:irua:60030 |
Serial |
3225 |
|
Permanent link to this record |
|
|
|
|
Author |
Hyett, G.; Barrier, N.; Clarke, S.J.; Hadermann, J. |
|
|
Title |
Topotactic oxidative and reductive control of the structures and properties of layered manganese oxychalcogenides |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
129 |
Issue |
36 |
Pages |
11192-11201 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000249372400055 |
Publication Date |
2007-08-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.858 |
Times cited |
12 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 13.858; 2007 IF: 7.885 |
|
|
Call Number |
UA @ lucian @ c:irua:65592 |
Serial |
3680 |
|
Permanent link to this record |
|
|
|
|
Author |
Herkelrath, S.J.C.; Saratovsky, I.; Hadermann, J.; Clarke, S.J. |
|
|
Title |
Fragmentation of an infinite ZnO2 square plane into discrete [ZnO2]2- linear units in the oxyselenide Ba2ZnO2Ag2Se2 |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
130 |
Issue |
44 |
Pages |
14426-14427 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Analysis of single crystal X-ray diffraction, neutron powder diffraction, electron diffraction and Zn−K-edge EXAFS data show that Ba2ZnO2Ag2Se2 contains unusual isolated [ZnO2]2− moieties resulting from fragmentation of a ZnO2 infinite plane placed under tension. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000260533400037 |
Publication Date |
2008-10-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.858 |
Times cited |
13 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 13.858; 2008 IF: 8.091 |
|
|
Call Number |
UA @ lucian @ c:irua:72947 |
Serial |
1273 |
|
Permanent link to this record |
|
|
|
|
Author |
Hadermann, J.; Abakumov, A.M.; Adkin, J.J.; Hayward, M.A. |
|
|
Title |
Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO2+x |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
131 |
Issue |
30 |
Pages |
10598-10604 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The anion-deficient perovskite 4H-BaMnO2+x has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO3−x. The crystal structure of 4H-BaMnO2+x was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) Å, b = 9.466(2) Å, c = 11.276(3) Å, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO2.5 and h-type BaO1.5 layers. The ordering of the oxygen vacancies transforms the Mn2O9 units of face-sharing MnO6 octahedra into Mn2O7 (two corner-sharing tetrahedra) and Mn2O6 (two edge-sharing tetrahedra) groups. The Mn2O7 and Mn2O6 groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO2.5 and BaO1.5 layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO2+x adopts an antiferromagnetically ordered state below TN ≈ 350 K. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000268644400056 |
Publication Date |
2009-07-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.858 |
Times cited |
25 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 13.858; 2009 IF: 8.580 |
|
|
Call Number |
UA @ lucian @ c:irua:77928 |
Serial |
3681 |
|
Permanent link to this record |
|
|
|
|
Author |
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
|
|
Title |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
|
|
Volume |
132 |
Issue |
|
Pages |
172-181 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
|
Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to
the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of
the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy
of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher
bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting
in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic
and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic
response upon adsorption of CO. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000472124700023 |
Publication Date |
2019-04-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.059 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 26.04.2021
|
|
|
Notes |
FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; |
Approved |
Most recent IF: 2.059 |
|
|
Call Number |
EMAT @ emat @UA @ admin @ c:irua:159656 |
Serial |
5170 |
|
Permanent link to this record |
|
|
|
|
Author |
Dixon, E.; Hadermann, J.; Ramos, S.; Goodwin, A.L.; Hayward, M.A. |
|
|
Title |
Mn(I) in an extended oxide : the synthesis and characterization of La1-xCaxMnO2+\delta (0.6\leq x\leq1) |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
133 |
Issue |
45 |
Pages |
18397-18405 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Reduction of La1xCaxMnO3 (0.6 ≤ x ≤ 1) perovskite phases with sodium hydride yields materials of composition La1xCaxMnO2+δ. The calcium-rich phases (x = 0.9, 1) adopt (La0.9Ca0.1)0.5Mn0.5O disordered rocksalt structures. However local structure analysis using reverse Monte Carlo refinement of models against pair distribution functions obtained from neutron total scattering data reveals lanthanum-rich La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases adopt disordered structures consisting of an intergrowth of sheets of MnO6 octahedra and sheets of MnO4 tetrahedra. X-ray absorption data confirm the presence of Mn(I) centers in La1xCaxMnO2+δ phases with x < 1. Low-temperature neutron diffraction data reveal La1xCaxMnO2+δ (x = 0.6, 0.67, 0.7) phases become antiferromagnetically ordered at low temperature. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000297381200065 |
Publication Date |
2011-10-14 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.858 |
Times cited |
33 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 13.858; 2011 IF: 9.907 |
|
|
Call Number |
UA @ lucian @ c:irua:94030 |
Serial |
2094 |
|
Permanent link to this record |
|
|
|
|
Author |
Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.; |
|
|
Title |
Artificial construction of the layered Ruddlesden-Popper manganite La2Sr2Mn3O10 by reflection high energy electron diffraction monitored pulsed laser deposition |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
134 |
Issue |
18 |
Pages |
7700-7714 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
|
Language |
|
Wos |
000303696200029 |
Publication Date |
2012-03-30 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863;1520-5126; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
13.858 |
Times cited |
27 |
Open Access |
|
|
|
Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 13.858; 2012 IF: 10.677 |
|
|
Call Number |
UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947 |
Serial |
153 |
|
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Shpanchenko, R.V.; Oleinikov, P.N.; Antipov, E.V. |
|
|
Title |
Anion ordering in fluorinated La2CuO4 |
Type |
A1 Journal article |
|
Year |
1999 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
142 |
Issue |
|
Pages |
311-322 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000078597400024 |
Publication Date |
2002-10-07 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
20 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 1999 IF: 1.547 |
|
|
Call Number |
UA @ lucian @ c:irua:29277 |
Serial |
121 |
|
Permanent link to this record |
|
|
|
|
Author |
Han, Y.; Zeng, Y.; Hendrickx, M.; Hadermann, J.; Stephens, P.W.; Zhu, C.; Grams, C.P.; Hemberger, J.; Frank, C.; Li, S.; Wu, M.X.; Retuerto, M.; Croft, M.; Walker, D.; Yao, D.-X.; Greenblatt, M.; Li, M.-R. |
|
|
Title |
Universal a-cation splitting in LiNbO₃-type structure driven by intrapositional multivalent coupling |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Journal Of The American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
|
|
Volume |
142 |
Issue |
15 |
Pages |
7168-7178 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Understanding the electric dipole switching in multiferroic materials requires deep insight of the atomic-scale local structure evolution to reveal the ferroelectric mechanism, which remains unclear and lacks a solid experimental indicator in high-pressure prepared LiNbO3-type polar magnets. Here, we report the discovery of Zn-ion splitting in LiNbO3-type Zn2FeNbO6 established by multiple diffraction techniques. The coexistence of a high-temperature paraelectric-like phase in the polar Zn2FeNbO6 lattice motivated us to revisit other high-pressure prepared LiNbO3-type A(2)BB'O-6 compounds. The A-site atomic splitting (similar to 1.0-1.2 angstrom between the split-atom pair) in B/B'-mixed Zn2FeTaO6 and O/N-mixed ZnTaO2N is verified by both powder X-ray diffraction structural refinements and high angle annular dark field scanning transmission electron microscopy images, but is absent in single-B-site ZnSnO3. Theoretical calculations are in good agreement with experimental results and suggest that this kind of A-site splitting also exists in the B-site mixed Mn-analogues, Mn2FeMO6 (M = Nb, Ta) and anion-mixed MnTaO2N, where the smaller A-site splitting (similar to 0.2 angstrom atomic displacement) is attributed to magnetic interactions and bonding between A and B cations. These findings reveal universal A-site splitting in LiNbO3-type structures with mixed multivalent B/B', or anionic sites, and the splitting-atomic displacement can be strongly suppressed by magnetic interactions and/or hybridization of valence bands between d electrons of the A- and B-site cations. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000526300600046 |
Publication Date |
2020-03-27 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0002-7863 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
15 |
Times cited |
1 |
Open Access |
Not_Open_Access |
|
|
Notes |
; This work was supported by the National Science Foundation of China (NSFC-21875287), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and an NSF-DMR-1507252 grant (U.S.). Use of the NSLS, Brookhaven National Laboratory, was supported by the DOE BES (DE-AC02-98CH10886). M.R. is thankful for the Spanish Juan de la Cierva grant FPDI-2013-17582. Y.Z. and D.-X.Y. are supported by NKRDPC-2018YFA0306001, NKRDPC-2017YFA0206203, NSFC-11974432, NSFG-2019A1515011337, the National Supercomputer Center in Guangzhou, and the Leading Talent Program of Guangdong Special Projects. Work on IOP, CAS, was supported by NSFC and MOST grants. A portion of this research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. J.H. and M.H. thank the FWO for support for the electron microscopy studies through grant G035619N. We thank beamline BL14B1 (Shanghai Synchrotron Radiation Facility) for providing beam time and help during the experiments. ; |
Approved |
Most recent IF: 15; 2020 IF: 13.858 |
|
|
Call Number |
UA @ admin @ c:irua:170294 |
Serial |
6646 |
|
Permanent link to this record |