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	Author	Verberck, B.; Michel, K.H.
	Title	Nanotube field and orientational properties of C₇₀ molecules in carbon nanotubes			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	75	Issue	4	Pages	045419,1-14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The orientation of a C(70) fullerene molecule encapsulated in a single-walled carbon nanotube (SWCNT) depends on the tube radius. First we confirm that chirality effects do not affect the orientation as well by comparing discrete atomistic calculations with the results of a continuous tube approximation for a variety of SWCNTs. The molecular and the tube symmetry are exploited by using symmetry-adapted rotator functions. We accurately determine the optimal molecular orientation as a function of the tube radius; for low (less than or similar to 7 A) and high (greater than or similar to 7.2 A) tube radii, lying and standing molecular orientations are recovered, respectively. In between, we observe a transition regime. In addition, we consider off-axis positions. We perform a one-dimensional liquid description of a chain of on-axis C(70) molecules inside a SWCNT. All results agree well with recent x-ray diffraction experiments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000243895600128	Publication Date	2007-01-17
	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	23	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:63752			Serial	2280
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	Author	Verberck, B.; Michel, K.H.
	Title	Nanotube field of C₆₀ molecules in carbon nanotubes: atomistic versus continuous approach			Type	A1 Journal article
	Year	2006	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	74	Issue	4	Pages	045421,1-14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000239426800113	Publication Date	2006-07-22
	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	31	Open Access
	Notes				Approved	Most recent IF: 3.836; 2006 IF: 3.107
	Call Number	UA @ lucian @ c:irua:60090			Serial	2281
Permanent link to this record



	Author	Verberck, B.
	Title	Orientational properties of C₇₀ and C₈₀ fullerenes in carbon nanotubes			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	4	Pages	045405-045405,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present energy calculations of a C80 molecule with D5d symmetry encapsulated in a carbon nanotube. The approximation of a continuous tube rather than a rolled-up graphene sheet, justified by comparison with atomistic calculations, allows an expansion of the energy field into symmetry-adapted rotator functions. For a given tube radius R, we observe a strong dependence of the interaction energy on the molecular tilt angle and on the molecules lateral position in the tube. We observe a transition from on-axis lying orientations to tilted orientations at R1≈6.95 Å and a subsequent transition to standing orientations at R2≈7.6 Å. For tube radii larger than R3≈8.0 Å, the molecule starts to occupy off-axis positions and assumes a lying orientation. Results are compared to the case of C70 molecules, with D5h symmetry. Our findings are consistent with recent high-resolution transmission electron microscopy measurements and are relevant for the design of new materials with tunable electronic properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000286770600010	Publication Date	2011-01-20
	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	6	Open Access
	Notes	; The author gratefully acknowledges discussions with A. V. Nikolaev and K. H. Michel. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:88911			Serial	2520
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	Author	Bousige, C.; Rols, S.; Paineau, E.; Rouziere, S.; Mocuta, C.; Verberck, B.; Wright, J.P.; Kataura, H.; Launois, P.
	Title	Progressive melting in confined one-dimensional C₆₀ chains			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	4	Pages	045446
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	C-60 fullerenes confined inside single-walled carbon nanotubes form an archetypal one-dimensional system. X-ray diffraction experiments, from room temperature to 1073 K, reveal an increasing melting phenomenon. Detailed analysis of the sawtooth peak characteristic of the fullerene organization allows the quantitative determination of fluctuations in intermolecular distances. The present results validate the predictions of one-dimensional statistical models.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000306925300007	Publication Date	2012-08-01
	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		Open Access
	Notes	; ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:100835			Serial	2726
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	Author	Zarenia, M.; Pereira, J.M.; Chaves, A.; Peeters, F.M.; Farias, G.A.
	Title	Simplified model for the energy levels of quantum rings in single layer and bilayer graphene			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	81	Issue	4	Pages	045431,1-045431,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Within a minimal model, we present analytical expressions for the eigenstates and eigenvalues of carriers confined in quantum rings in monolayer and bilayer graphene. The calculations were performed in the context of the continuum model by solving the Dirac equation for a zero width ring geometry, i.e., by freezing out the carrier radial motion. We include the effect of an external magnetic field and show the appearance of Aharonov-Bohm oscillations and of a nonzero gap in the spectrum. Our minimal model gives insight on the energy spectrum of graphene-based quantum rings and models different aspects of finite width rings.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000277186000010	Publication Date	2010-01-29
	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	76	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the Bilateral program between Flanders and Brazil, and the Brazilian Council for Research (CNPq). ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:82866			Serial	3005
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	Author	Sahin, H.; Sivek, J.; Li, S.; Partoens, B.; Peeters, F.M.
	Title	Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	88	Issue	4	Pages	045434-45436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	During the synthesis of ultrathin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphenelike structures results in dramatic changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (similar to 2.4 eV) and Ag(111)-supported (similar to 2.8 eV) silicene and found it to be significantly lower than in graphene (similar to 9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct band gap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW-defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for band gap engineering in silicene-based materials through such defects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000322113300007	Publication Date	2013-07-23
	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	93	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:109805			Serial	3162
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	Author	Costamagna, S.; Neek-Amal, M.; Los, J.H.; Peeters, F.M.
	Title	Thermal rippling behavior of graphane			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	4	Pages	041408-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000306649200002	Publication Date	2012-07-23
	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	46	Open Access
	Notes	; We thank A. Fasolino, A. Dobry, and K. H. Michel for their useful comments. S.C. is supported by the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:100840			Serial	3630
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	Author	Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K.
	Title	Tuning of the two electron states in quantum rings through the spin-orbit interaction			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	4	Pages	1-7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of the Coulomb interaction on the energy spectrum and anisotropic distribution of two electron states in a quantum ring in the presence of Rashba spin-orbit interaction (RSOI) and Dresselhaus SOI (DSOI) is investigated in the presence of a perpendicular magnetic field. We find that the interplay between the RSOI and DSOI makes the single quantum ring behaves like a laterally coupled quantum dot and the interdot coupling can be tuned by changing the strengths of the SOIs. The interplay can lead to singlet-triplet state mixing and anticrossing behavior when the singlet and triplet states meet with increasing magnetic field. The two electron ground state displays a bar-bell-like spatial anisotropic distribution in a quantum ring at a specific crystallographic direction, i.e., [110] or [11̅ 0], which can be switched by reversing the direction of the perpendicular electric field. The ground state exhibits a singlet-triplet state transition with increasing magnetic field and strengths of RSOI and DSOI. An anisotropic electron distribution is predicted which can be detected through the measurement of its optical properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000280234100006	Publication Date	2010-07-22
	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	14	Open Access
	Notes	; This work was supported by NSFC under Grants No. 60525405 and No. 10874175 and the Belgium Science Policy (IAP). ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:84087			Serial	3756
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	Author	Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J.
	Title	Interstitial defects in the van der Waals gap of Bi₂Se₃			Type	A1 Journal article
	Year	2019	Publication	Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online)	Abbreviated Journal	Acta Crystallogr B
	Volume	75	Issue	4	Pages	717-732
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000480512600024	Publication Date	2019-08-01
	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	2.032	Times cited		Open Access
	Notes	University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI.			Approved	Most recent IF: 2.032
	Call Number	EMAT @ emat @c:irua:161847			Serial	5295
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	Author	Hadermann, J.; Palatinus, L.
	Title	Introducton to the special issue on electron crystallography			Type	Editorial
	Year	2019	Publication	And Materials	Abbreviated Journal
	Volume	75	Issue	4	Pages	462-462
	Keywords	Editorial; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000480512600028	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	; ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:161845			Serial	5389
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	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
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	Author	Vodolazov, D.I.; Peeters, F.M.
	Title	Dynamic transitions between metastable states in a superconducting ring			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	66	Issue	5	Pages	054537-054537,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Applying the time-dependent Ginzburg-Landau equations, transitions between metastable states of a superconducting ring are investigated in the presence of an external magnetic field. It is shown that if the ring exhibits several metastable states at a particular magnetic field, the transition from one metastable state to another one is governed by both the relaxation time of the absolute value of the order parameter tau(\psi\) and the relaxation time of the phase of the order parameter tau(phi). We found that the larger the ratio tau(\psi\)/tau(phi), the closer the final state will be to the absolute minimum of the free energy, i.e., the thermodynamic equilibrium. The transition to the final state occurs through a subsequent set of single phase slips at a particular point along the ring.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000177873000143	Publication Date	2002-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	34	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:94917			Serial	768
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	Author	Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M.
	Title	Dynamics of current-driven phase-slip centers in superconducting strips			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	5	Pages	054506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000344656700003	Publication Date	2014-08-08
	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	42	Open Access
	Notes	; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:121229			Serial	775
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	Author	Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Erratum : First-principles study of possible shallow donors in ZnAl₂O₄ spinel [Phys. Rev. B 87, 174101 (2013)]			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	88	Issue	5	Pages	059905-2
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000323572600009	Publication Date	2013-08-27
	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; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:110015			Serial	1080
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	Author	Mishra, R.S.K.; Pandey, D.; Lemmens, H.; Van Tendeloo, G.
	Title	Evidence for another low-temperature phase transition in tetragonal Pb(Zr_xTi_1-x)O₃ (x=0.515,0.520)			Type	A1 Journal article
	Year	2001	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	64	Issue	5	Pages	054104
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Results of dielectric and resonance frequency (f(r)) measurements below room temperature are presented for Pb(ZrxTi1-x)O-3, x = 0.515 and 0.520. It is shown that the temperature coefficient of f(r) changes sign from negative to positive around 210 and 265 K for x = 0.520 and 200 and 260 K for x = 0.515. Anomalies in the real part of the dielectric constant (epsilon') are observed around the same temperatures at which the temperature coefficient of f(r) changes sign because of the electrostrictive coupling between the elastic and dielectric responses. Low-temperature powder x-ray-diffraction (XRD) data, however, reveal only one transition from the tetragonal to monoclinic phase similar to that reported by Noheda et al. [Phys. Rev. B, 61, 8687 (2000)]. Electron-diffraction data, on the other hand, reveal yet another structural transition at lower temperatures corresponding to the second anomaly in the epsilon' vs T and f(r) vs T curves. This second transition is shown to be a cell-doubling transition not observed by Noheda et al. in their XRD studies. The observation of superlattice reflections raises doubts about the correctness of the Cm space group proposed by Noheda et al. for the monoclinic phase of Pb(ZrxTi(1-x))O-3 below the second transition temperature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000170267000028	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.836; 2001 IF: NA
	Call Number	UA @ lucian @ c:irua:103407			Serial	1093
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	Author	Pogosov, W.V.; Misko, V.R.; Peeters, F.M.
	Title	Geometry-induced localization of thermal fluctuations in ultrathin superconducting structures			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	5	Pages	054523-054523,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Thermal fluctuations of the order parameter in an ultrathin triangular-shaped superconducting structure are studied near Tc, in zero applied field. We find that the order parameter is prone to much larger fluctuations in the corners of the structure as compared to its interior. This geometry-induced localization of thermal fluctuations is attributed to the fact that condensate confinement in the corners is characterized by a lower effective dimensionality, which favors stronger fluctuations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000281294700006	Publication Date	2010-08-27
	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	2	Open Access
	Notes	; This work was supported by the “Odysseus” Program of the Flemish government, FWO-Vl, and the Belgian Science Policy (IAP). W. V. P. acknowledges supports from the RFBR [Project No. 09-02-00248] and the “Dynasty Foundation.” ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:84470			Serial	1334
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	Author	Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
	Title	Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	89	Issue	5	Pages	054106-54109
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332420900001	Publication Date	2014-03-05
	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	5	Open Access
	Notes	Fwo; Hercules			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:114910			Serial	1487
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	Author	Ding, J.F.; Lebedev, O.I.; Turner, S.; Tian, Y.F.; Hu, W.J.; Seo, J.W.; Panagopoulos, C.; Prellier, W.; Van Tendeloo, G.; Wu, T.
	Title	Interfacial spin glass state and exchange bias in manganite bilayers with competing magnetic orders			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	87	Issue	5	Pages	054428-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The magnetic properties of manganite bilayers composed of G-type antiferromagnetic (AFM) SrMnO3 and double-exchange ferromagnetic (FM) La0.7Sr0.3MnO3 are studied. A spin-glass state is observed as a result of competing magnetic orders and spin frustration at the La0.7Sr0.3MnO3/SrMnO3 interface. The dependence of the irreversible temperature on the cooling magnetic field follows the Almeida-Thouless line. Although an ideal G-type AFM SrMnO3 is featured with a compensated spin configuration, the bilayers exhibit exchange bias below the spin glass freezing temperature, which is much lower than the Néel temperature of SMO, indicating that the exchange bias is strongly correlated with the spin glass state. The results indicate that the spin frustration that originates from the competition between the AFM super-exchange and the FM double-exchange interactions can induce a strong magnetic anisotropy at the La0.7Sr0.3MnO3/SrMnO3 interface.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000315271200002	Publication Date	2013-02-22
	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	98	Open Access
	Notes	FWO; COUNTATOMS; Hercules			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:107349			Serial	1696
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	Author	Tsirlin, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Rosner, H.
	Title	Interplay of atomic displacement in the quantum magnet (CuCI)LaNb₂O₇			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	5	Pages	054107,1-054107,12
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report on the crystal structure of the quantum magnet CuClLaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction, electron diffraction, transmission electron microscopy, and band-structure calculations, we solve the room-temperature structure of this compound -CuClLaNb2O7 and find two high-temperature polymorphs. The -CuClLaNb2O7 phase, stable above 640 K, is tetragonal with asub=3.889 Å, csub =11.738 Å, and the space group P4/mmm. In the -CuClLaNb2O7 structure, the Cu and Cl atoms are randomly displaced from the special positions along the 100 directions. The phase asub2asubcsub, space group Pbmm and the phase 2asub2asubcsub, space group Pbam are stable between 640 K and 500 K and below 500 K, respectively. The structural changes at 500 and 640 K are identified as order-disorder phase transitions. The displacement of the Cl atoms is frozen upon the → transformation while a cooperative tilting of the NbO6 octahedra in the phase further eliminates the disorder of the Cu atoms. The low-temperature -CuClLaNb2O7 structure thus combines the two types of the atomic displacements that interfere due to the bonding between the Cu atoms and the apical oxygens of the NbO6 octahedra. The precise structural information resolves the controversy between the previous computation-based models and provides the long-sought input for understanding CuClLaNb2O7 and related compounds with unusual magnetic properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000280849400001	Publication Date	2010-08-12
	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	13	Open Access
	Notes				Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:83991			Serial	1706
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	Author	Vodolazov, D.Y.; Peeters, F.M.; Dubonos, S.V.; Geim, A.K.
	Title	Multiple flux jumps and irreversible behavior of thin Al superconducting rings			Type	A1 Journal article
	Year	2003	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	67	Issue	5	Pages	054506-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000181360300061	Publication Date	2003-02-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.836; 2003 IF: NA
	Call Number	UA @ lucian @ c:irua:102812			Serial	2227
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	Author	Wang, Z.-H.; Kronmüller, H.; Lebedev, O.I.; Gross, G.M.; Razavi, F.S.; Habermeier, H.U.; Shen, B.G.
	Title	Phase transition and magnetic anisotropy of (La,Sr)MnO₃ thin films			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	65	Issue	5	Pages	054411-54416
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The magnetic proper-ties and their correlation with the microstructure and electrical transport are investigated in La0.88Sr0.1MnO3 films grown on (100)SrTiO3 Single crystal substrates with thickness ranging from 100 to 2500 Angstrom. The ultrathin film (t = 100 Angstrom) has a single ferromagnetic transition (FMT) at T-c of 250 K, whereas the thicker films exhibit two FMTs, with the main one at a lowered T-c of 200 K while the minor one around 300 K. Furthermore, a thickness dependent magnetic anisotropy has been found, strongly indicating the existence of strain effect, which is also revealed by the transmission electron microscopy study. The suppressed Jahn-Teller distortion (JTD) by the epitaxial strain, and the recovered JTD due to the strain relexation are suggested to explain the metallic behavior in thin films and the insulating behavior in the thick film (t = 2500 Angstrom), repectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000173647000058	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:103883			Serial	2592
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
	Title	Reply to “Comment on 'Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements' ”			Type	Editorial
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	5	Pages	056502
	Keywords	Editorial; Condensed Matter Theory (CMT)
	Abstract	Our calculations, within known limitations of Ginzburg-Landau theory, are fully correct and valid for transport phenomena in asymmetric mesoscopic superconductors, deep in the superconducting state. We deemed the experiments of Burlakov et al. [JETP Lett. 86, 517 (2007)] relevant and important to mention in the general context of our paper since the observed shifts in the oscillations of different quantities are qualitatively similar, even though those measurements are performed close to the superconducting-normal state transition in the so-called Little-Parks regime.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000341266400006	Publication Date	2014-08-28
	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; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:119256			Serial	2876
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	Author	Shanenko, A.A.; Croitoru, M.D.; Zgirski, M.; Peeters, F.M.; Arutyunov, K.
	Title	Size-dependent enhancement of superconductivity in Al and Sn nanowires: shape-resonance effect			Type	A1 Journal article
	Year	2006	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	74	Issue	5	Pages	052502,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000240238400015	Publication Date	2007-02-05
	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	95	Open Access
	Notes				Approved	Most recent IF: 3.836; 2006 IF: 3.107
	Call Number	UA @ lucian @ c:irua:60806			Serial	3034
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	Author	Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W.
	Title	Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	5	Pages	054116-054116,7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000300931900004	Publication Date	2012-02-29
	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	18	Open Access
	Notes				Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:97201			Serial	3117
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	Author	Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T.
	Title	Stability of multipolaron matter			Type	A1 Journal article
	Year	1993	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	47	Issue	5	Pages	2596-2601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1993KL78900022	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	10	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:5745			Serial	3127
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	Author	Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.
	Title	Stabilized vortex-antivortex molecules in a superconducting microdisk with a magnetic nanodot on top			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	75	Issue	5	Pages	052502,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000244532600020	Publication Date	2007-03-01
	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	15	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:63790			Serial	3141
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	Author	Vodolazov, D.Y.; Baelus, B.J.; Peeters, F.M.
	Title	Stationary-phase slip state in quasi-one-dimensional rings			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	66	Issue	5	Pages	054531-54536
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000177873000137	Publication Date	2002-10-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:104147			Serial	3152
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	Author	Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B.
	Title	Structural and magnetotransport transitions in the electron-doped Pr_1-xSr_xMnO₃(0.85\leq x\leq1) manganites			Type	A1 Journal article
	Year	2000	Publication	Chemistry and materials	Abbreviated Journal	Chem Mater
	Volume	12	Issue	5	Pages	1456-1462
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000087136800039	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	24	Open Access
	Notes				Approved	Most recent IF: 9.466; 2000 IF: 3.580
	Call Number	UA @ lucian @ c:irua:103454			Serial	3198
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	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Symmetry lowering at the structural phase transitions in NpO₂ and UO₂			Type	A1 Journal article
	Year	2003	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	68	Issue	5	Pages	054112-054112,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The structural phase transitions with electric-quadrupole long-range order in NpO2 (Fm (3) over barm-->Pn (3) over barm) and UO2 (Fm (3) over barm-->Pa (3) over bar) are analyzed from a group theoretical point of view. In both cases, the symmetry lowering involves three quadrupolar components belonging to the irreducible representation T-2g (Gamma(5)) of O-h and condensing in a triple-q structure at the X point of the Brillouin zone. The Pa (3) over bar structure is close to Pn (3) over barm, but allows for oxygen displacements. The Pa (3) over bar ordering leads to an effective electrostatic attraction between electronic quadrupoles while the Pn (3) over barm ordering results in a repulsion between them. It is concluded that the Pn (3) over barm structure can be stabilized only through some additional process such as strengthening of the chemical bonding between Np and O. We also derive the relevant structure-factor amplitudes for Pn (3) over barm and Pa (3) over bar, and the effect of domains on resonant x-ray scattering experiments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000185240100038	Publication Date	2003-08-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 3.836; 2003 IF: NA
	Call Number	UA @ lucian @ c:irua:94847			Serial	3405
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	Author	Milants, K.; Hendrickx, P.; Verheyden, J.; Barancira, T.; Deweerd, W.; Pattyn, H.; Bukshpan, S.; Vermeiren, F.; Van Tendeloo, G.
	Title	¹³³Xe(Cs) Mössbauer measurements on Ar, Ne, Kr, Xe, Rb, and Cs inclusions in W and Mo			Type	A1 Journal article
	Year	1997	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	55	Issue	5	Pages	2831-2839
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1997WG88600034	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 0163-1829	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 3.836; 1997 IF: NA
	Call Number	UA @ lucian @ c:irua:21422			Serial	3512
Permanent link to this record