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	Author	Lamoen, D.; Ballone, P.; Parrinello, M.
	Title	Electronic structure, screening and charging effects at a metal/organic tunneling junction: a first principles study			Type	A1 Journal article
	Year	1996	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	54	Issue		Pages	5097
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1996VE48800102	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	3.736	Times cited	33	Open Access
	Notes				Approved	PHYSICS, CONDENSED MATTER 16/67 Q1 #
	Call Number	UA @ lucian @ c:irua:15820			Serial	1018
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	Author	Leys, F.E.; March, N.H.; Lamoen, D.
	Title	High pressure limiting forms of the zero-temperature equations of state of Ta and Pu from relativistic Thomas-Fermi theory			Type	A1 Journal article
	Year	2003	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	67	Issue		Pages	064109
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000181501100021	Publication Date	2003-03-01
	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	1	Open Access
	Notes				Approved	Most recent IF: 3.836; 2003 IF: NA
	Call Number	UA @ lucian @ c:irua:45628			Serial	1439
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	Author	Leys, F.E.; March, N.H.; Angilella, G.G.N.; Lamoen, D.
	Title	Self consistent nonlocal linear-response theory of a relativistic electron gas			Type	A1 Journal article
	Year	2003	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	67	Issue		Pages	113105
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000182035100005	Publication Date	2003-04-01
	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;
	Impact Factor	3.836	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.836; 2003 IF: NA
	Call Number	UA @ lucian @ c:irua:45627			Serial	2973
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	Author	Misko, V.R.; Fomin, V.M.; Devreese, J.T.
	Title	Strong enhancement of superconductivity in a nanosized Pb bridge			Type	A1 Journal article
	Year	2001	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	64	Issue		Pages	014517,1-13
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000169711900093	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	28	Open Access
	Notes				Approved	Most recent IF: 3.836; 2001 IF: NA
	Call Number	UA @ lucian @ c:irua:34316			Serial	3181
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	Author	Fomin, V.M.; Misko, V.R.; Devreese, J.T.; Moshchalkov, V.V.
	Title	Superconducting mesoscopic square loop			Type	A1 Journal article
	Year	1998	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	58	Issue		Pages	11703-11715
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000076716700093	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	43	Open Access
	Notes				Approved	Most recent IF: 3.836; 1998 IF: NA
	Call Number	UA @ lucian @ c:irua:21906			Serial	3354
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	Author	Ghorbanfekr-Kalashami, H.; Peeters, F.M.; Novoselov, K.S.; Neek-Amal, M.
	Title	Spatial design and control of graphene flake motion			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	6	Pages	060101
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000406860300001	Publication Date	2017-08-04
	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	3	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. M.N.-A. was supported by Iran National Science Foundation (INSF). K.S.N. was supported by the EU Graphene Flagship Program, European Research Council Synergy Grant Hetero2D, the Royal Society, Engineering and Physical Research Council (UK), US Army Research Office. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:145166			Serial	4724
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	Author	Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Vinokur, V.M.; Aguiar, J.A.; Peeters, F.M.
	Title	Superconductivity between standard types: Multiband versus single-band materials			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	174503
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000375527500001	Publication Date	2016-05-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	37	Open Access
	Notes	Conselho Nacional de Desenvolvimento Científico e Tecnológico, 307552/2012-8 141911/2012-3 ; Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco, APQ-0589-1.05/08 ; U.S. Department of Energy;			Approved	Most recent IF: 3.836
	Call Number	CMT @ cmt @ c:irua:141732			Serial	4480
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	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
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	Author	Stosic, D.; Ludermir, T.B.; Milošević, M.V.
	Title	Pinning of magnetic skyrmions in a monolayer Co film on Pt(111) : Theoretical characterization and exemplified utilization			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	21	Pages	214403
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Magnetic skyrmions are nanoscale windings of the spin structure that can be observed in chiral magnets and hold promise for potential applications in storing or processing information. Pinning due to ever-present material imperfections crucially affects the mobility of skyrmions. Therefore, a proper understanding of how magnetic skyrmions pin to defects is necessary for the development and performance of spintronic devices. Here we present a fundamental analysis on the interactions of single skyrmions with atomic defects of distinctly different origins, in a Co monolayer on Pt, based on minimum-energy paths considerations and atomic-spin simulations. We first report the preferred pinning loci of the skyrmion as a function of its nominal size and the type of defect being considered, to further reveal the manipulation and \u0022breathing\u0022 of skyrmion core in the vicinity of a defect. We also show the behavior of skyrmions in the presence of an extended defect of particular geometry, that can lead to ratcheted skyrmion motion or a facilitated guidance on a defect \u0022trail.\u0022 We close the study with reflections on the expected thermal stability of the skyrmion against collapse on itself for a given nature of the defect, and discuss the applications where control of skyrmions by defects is of particular interest.'));
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000416846900002	Publication Date	2017-12-01
	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	52	Open Access
	Notes	; This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:147684			Serial	4890
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	Author	Carmesin, C.; Schowalter, M.; Lorke, M.; Mourad, D.; Grieb, T.; Müller-Caspary, K.; Yacob, M.; Reithmaier, J.P.; Benyoucef, M.; Rosenauer, A.; Jahnke, F.
	Title	Interplay of morphology, composition, and optical properties of InP-based quantum dots emitting at the 1.55 \mum telecom wavelength			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	23	Pages	235309
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Results for the development and detailed analysis of self-organized InAs/InAlGaAs/InP quantum dots suitable for single-photon emission at the 1.55 mu m telecom wavelength are reported. The structural and compositional properties of the system are obtained from high-resolution scanning transmission electron microscopy of individual quantum dots. The system is composed of almost pure InAs quantum dots embedded in quaternary InAlGaAs barrier material, which is lattice matched to the InP substrate. When using the measured results for a representative quantum-dot geometry as well as experimentally reconstructed alloy concentrations, a combination of strain-field and electronic-state calculations is able to reproduce the quantum-dot emission wavelength in agreement with the experimentally determined photoluminescence spectrum. The inhomogeneous broadening of the latter can be related to calculated variations of the emission wavelength for the experimentally deduced In-concentration fluctuations and size variations.'));
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000418654200009	Publication Date	2017-12-26
	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	3	Open Access	OpenAccess
	Notes	; The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft Project No. JA 14-1, the BMBF Projects Q.com-H No. 16KIS0111 and No. 16KIS0112, as well as computational resources from HLRN (Hannover, Berlin). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:148505			Serial	4882
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	Author	Zhang, L.-F.; Covaci, L.; Milošević, M.V.
	Title	Topological phase transitions in small mesoscopic chiral p-wave superconductors			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	22	Pages	224512
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Spin-triplet chiral p-wave superconductivity is typically described by a two-component order parameter, and as such is prone to unique emergent effects when compared to the standard single-component superconductors. Here we present the equilibrium phase diagram for small mesoscopic chiral p-wave superconducting disks in the presence of magnetic field, obtained by solving the microscopic Bogoliubov-de Gennes equations self-consistently. In the ultrasmall limit, the cylindrically symmetric giant-vortex states form the ground state of the system. However, with increasing sample size, the cylindrical symmetry is broken as the two components of the order parameter segregate into domains, and the number of fragmented domain walls between them characterizes the resulting states. Such domain walls are topological defects unique for the p-wave order, and constitute a dominant phase in the mesoscopic regime. Moreover, we find two possible types of domain walls, identified by their chirality-dependent interaction with the edge states.'));
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000418653500012	Publication Date	2017-12-26
	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	18	Open Access
	Notes	; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:148504			Serial	4901
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	Author	Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V.
	Title	Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations : the case of FeB₄			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	1	Pages	014503
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('We present an advanced method to study spin fluctuations in superconductors quantitatively and entirely from first principles. This method can be generally applied to materials where electron-phonon coupling and spin fluctuations coexist. We employ it here to examine the recently synthesized superconductor iron tetraboride (FeB4) with experimental T-c similar to 2.4 K [H. Gou et al., Phys. Rev. Lett, 111, 157002 (2013)]. We prove that FeB4 is particularly prone to ferromagnetic spin fluctuations due to the presence of iron, resulting in a large Stoner interaction strength, I = 1.5 eV, as calculated from first principles. The other important factor is its Fermi surface that consists of three separate sheets, among which two are nested ellipsoids. The resulting susceptibility has a ferromagnetic peak around q = 0, from which we calculated the repulsive interaction between Cooper pair electrons using the random phase approximation. Subsequently, we combined the electron-phonon interaction calculated from first principles with the spin fluctuation interaction in fully anisotropic Eliashberg theory calculations. We show that the resulting superconducting gap spectrum is conventional, yet very strongly depleted due to coupling to the spin fluctuations. The critical temperature decreases from T-c = 41 K, if they are not taken into account, to T-c = 1.7 K, in good agreement with the experimental value.'));
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000419229100004	Publication Date	2018-01-04
	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	23	Open Access
	Notes	; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Swedish Research Council (VR), and the Rontgen-Angstrom Cluster. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government-department EWI. Anisotropic Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:148447UA @ admin @ c:irua:148447			Serial	4866
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	Author	Lane, T.L.M.; Andelkovic, M.; Wallbank, J.R.; Covaci, L.; Peeters, F.M.; Fal'ko, V.I.
	Title	Ballistic electron channels including weakly protected topological states in delaminated bilayer graphene			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	4	Pages	045301
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('We show that delaminations in bilayer graphene (BLG) with electrostatically induced interlayer symmetry can provide one with ballistic channels for electrons with energies inside the electrostatically induced BLG gap. These channels are formed by a combination of valley-polarized evanescent states propagating along the delamination edges (which persist in the presence of a strong magnetic field) and standing waves bouncing between them inside the delaminated region (in a strong magnetic field, these transform into Landau levels in the monolayers). For inverted stackings in BLGs on the left and right of the delamination (AB-2ML-BA or BA-2ML-AB, where 2ML indicates two decoupled monolayers of graphene), the lowest-energy ballistic channels are gapless, have linear dispersion, and appear to be weakly topologically protected. When BLG stackings on both sides of the delamination are the same (AB-2ML-AB or BA-2ML-BA), the lowest-energy ballistic channels are gapped, with a gap epsilon(g) scaling as epsilon(g) alpha W-1 with delamination width and epsilon(g) alpha delta(-1) with the on-layer energy difference in the delaminated part of the structure. Depending on the width, delaminations may also support several \u0022higher-energy\u0022 waveguide modes. Our results are based on both the analytical study of the wave matching of Dirac states and tight-binding model calculations, and we analyze in detail the dependence of the delamination spectrum on the electrostatic conditions in the structure, such as the vertical displacement field.'));
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000419772200005	Publication Date	2018-01-11
	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	11	Open Access
	Notes	; This work was funded by EPSRC via EPSRC Grand Engineering Chellenges Grant No. EP/N010345, the Manchester NOWNANO CDT EP/L-1548X, the Flemish Science Foundation (FWO-VI), the European Graphene Flagship project, ERC Synergy grant Hetero2D, and FLAG-ERA project TRANS2DTMD. The authors would like to acknowledge useful discussions with M. Zarenia, S. Slizovskiy, E. McCann, and K. Novesolov. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:148441UA @ admin @ c:irua:148441			Serial	4868
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	Author	Van der Donck, M.; Peeters, F.M.
	Title	Spectrum of exciton states in monolayer transition metal dichalcogenides : angular momentum and Landau levels			Type	A1 Journal article
	Year	2019	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	99	Issue	11	Pages	115439
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A four-band exciton Hamiltonian is constructed starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs). The angular part of the exciton wave function can be separated from the radial part, in the case of zero center of mass momentum excitons, by exploiting the eigenstates of the total exciton angular momentum operator with which the Hamiltonian commutes. We explain why this approach fails for excitons with finite center of mass momentum or in the presence of a perpendicular magnetic field and present an approximation to resolve this issue. We calculate the (binding) energy and average interparticle distance of different excited exciton states in different TMDs and compare these with results available in the literature. Remarkably, we find that the intervalley exciton ground state in the -/+ K valley has angular momentum j = +/- 1, which is due to the pseudospin of the separate particles. The exciton mass and the exciton Landau levels are calculated and we find that the degeneracy of exciton states with opposite relative angular momentum is altered by a magnetic field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000462896400004	Publication Date	2019-03-28
	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	9	Open Access
	Notes	; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:159406			Serial	5230
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	Author	Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H.
	Title	Cubic lead perovskite PbMoO3 with anomalous metallic behavior			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal
	Volume	95	Issue	15	Pages	155105
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000440605700001	Publication Date	2017-04-04
	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:167288			Serial	7743
Permanent link to this record



	Author	Cavalcante, L.S.; Chaves, A.; da Costa, D.R.; Farias, G.A.; Peeters, F.M.
	Title	All-strain based valley filter in graphene nanoribbons using snake states			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	7	Pages	075432
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A pseudomagnetic field kink can be realized along a graphene nanoribbon using strain engineering. Electron transport along this kink is governed by snake states that are characterized by a single propagation direction. Those pseudomagnetic fields point towards opposite directions in the K and K' valleys, leading to valley polarized snake states. In a graphene nanoribbon with armchair edges this effect results in a valley filter that is based only on strain engineering. We discuss how to maximize this valley filtering by adjusting the parameters that define the stress distribution along the graphene ribbon.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000381889300002	Publication Date	2016-08-23
	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	29	Open Access
	Notes	; Discussions with R. Grassi are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), under the PRONEX/FUNCAP and Science Without Borders (SWB) programs, CAPES, the Lemann Foundation, and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:144667			Serial	4639
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	Author	Lazarevic, N.; Baum, A.; Milosavljevic, A.; Peis, L.; Stumberger, R.; Bekaert, J.; Solajic, A.; Pesic, J.; Wang, A.; Scepanovic, M.; Abeykoon, A.M.M.; Milošević, M.V.; Petrovic, C.; Popovic, Z.V.; Hackl, R.
	Title	Evolution of lattice, spin, and charge properties across the phase diagram of Fe_1-xS_x			Type	A1 Journal article
	Year	2022	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	106	Issue	9	Pages	094510-94519
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A Raman scattering study covering the entire substitution range of the FeSe1-xSx solid solution is presented. Data were taken as a function of sulfur concentration x for 0 <= x <= 1, of temperature and of scattering symmetry. All types of excitations including phonons, spins, and charges are analyzed in detail. It is observed that the energy and width of the iron-related B-1g phonon mode vary continuously across the entire range of sulfur substitution. The A(1g) chalcogenide mode disappears above x = 0.23 and reappears at a much higher energy for x = 0.69. In a similar way the spectral features appearing at finite doping in A(1g) symmetry vary discontinuously. The magnetic excitation centered at approximately 500 cm(-1) disappears above x = 0.23 where the A(1g) lattice excitations exhibit a discontinuous change in energy. The low-energy mode associated with fluctuations displays maximal intensity at the nematostructural transition and thus tracks the phase boundary.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000917933500004	Publication Date	2022-09-19
	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
	Impact Factor	3.7	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.7
	Call Number	UA @ admin @ c:irua:194397			Serial	7304
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	Author	Van der Donck, M.; Peeters, F.M.; Van Duppen, B.
	Title	Transport properties of bilayer graphene in a strong in-plane magnetic field			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	93	Issue	93	Pages	115423
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A strong in-plane magnetic field drastically alters the low-energy spectrum of bilayer graphene by separating the parabolic energy dispersion into two linear Dirac cones. The effect of this dramatic change on the transport properties strongly depends on the orientation of the in-plane magnetic field with respect to the propagation direction of the charge carriers and the angle at which they impinge on the electrostatic potentials. For magnetic fields oriented parallel to the potential boundaries an additional propagating mode that results from the splitting into Dirac cones enhances the transmission probability for charge carriers tunneling through the potentials and increases the corresponding conductance. Our results show that the chiral suppression of transmission at normal incidence, reminiscent of bilayer graphene's 2 pi Berry phase, is turned into a chiral enhancement when the magnetic field increases, thus indicating a transition from a bilayer to a monolayer-like system at normal incidence. Further, we find that the typical transmission resonances stemming from confinement in a potential barrier are shifted to higher energy and are eventually transformed into antiresonances with increasing magnetic field. For magnetic fields oriented perpendicular to the potential boundaries we find a very pronounced transition from a bilayer system to two separated monolayer-like systems with Klein tunneling emerging at certain incident angles symmetric around 0, which also leaves a signature in the conductance. For both orientations of the magnetic field, the transmission probability is still correctly described by pseudospin conservation. Finally, to motivate the large in-plane magnetic field, we show that its energy spectrum can be mimicked by specific lattice deformations such as a relative shift of one of the layers. With this equivalence we introduce the notion of an in-plane pseudomagnetic field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000372409900006	Publication Date	2016-03-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	11	Open Access
	Notes	; This work was supported by Fonds Wetenschappelijk Onderzoek (FWO-Vl) through an aspirant research grant to M.V.D.D. and B.V.D. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:133197			Serial	4267
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	Author	Linard, F.J.A.; Moura, V.N.; Covaci, L.; Milošević, M.V.; Chaves, A.
	Title	Wave-packet scattering at a normal-superconductor interface in two-dimensional materials : a generalized theoretical approach			Type	A1 Journal article
	Year	2023	Publication	Physical review B	Abbreviated Journal
	Volume	107	Issue	16	Pages	165306-165309
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	A wave-packet time evolution method, based on the split-operator technique, is developed to investigate the scattering of quasiparticles at a normal-superconductor interface of arbitrary profile and shape. As a practical application, we consider a system where low-energy electrons can be described as Dirac particles, which is the case for most two-dimensional materials, such as graphene and transition-metal dichalcogenides. However, the method is easily adapted for other cases such as electrons in few-layer black phosphorus or any Schrodinger quasiparticles within the effective mass approximation in semiconductors. We employ the method to revisit Andreev reflection in mono-, bi-, and trilayer graphene, where specular-and retro-reflection cases are observed for electrons scattered by a steplike superconducting region. The effect of opening a zero-gap channel across the superconducting region on the electron and hole scattering is also addressed, as an example of the versatility of the technique proposed here.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000974675700006	Publication Date	2023-04-14
	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	3.7	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.7; 2023 IF: 3.836
	Call Number	UA @ admin @ c:irua:196709			Serial	8954
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	Author	Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V.
	Title	Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling			Type	A1 Journal article
	Year	2021	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	103	Issue	12	Pages	125418
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000646179300003	Publication Date	2021-03-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	18	Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen;			Approved	Most recent IF: 3.836
	Call Number	CMT @ cmt @c:irua:177506			Serial	6756
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	Author	Van der Donck, M.; Conti, S.; Perali, A.; Hamilton, A.R.; Partoens, B.; Peeters, F.M.; Neilson, D.
	Title	Three-dimensional electron-hole superfluidity in a superlattice close to room temperature			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	102	Issue	6	Pages	060503
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Although there is strong theoretical and experimental evidence for electron-hole superfluidity in separated sheets of electrons and holes at low T, extending superfluidity to high T is limited by strong two-dimensional fluctuations and Kosterlitz-Thouless effects. We show this limitation can be overcome using a superlattice of alternating electron- and hole-doped semiconductor monolayers. The superfluid transition in a three-dimensional superlattice is not topological, and for strong electron-hole pair coupling, the transition temperature T-c can be at room temperature. As a quantitative illustration, we show T-c can reach 270 K for a superfluid in a realistic superlattice of transition metal dichalcogenide monolayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000562320700001	Publication Date	2020-08-25
	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	3.7	Times cited	5	Open Access
	Notes	; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for M.V.d.D., by the FLAG-ERA project TRANS-2D-TMD, and by the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics (Project No. CE170100039). We thank Milorad V. Milossevi ' c, Pierbiagio Pieri, and Jacques Tempere for helpful discussions. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:172064			Serial	6628
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	Author	de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P.
	Title	Method to quantify the delocalization of electronic states in amorphous semiconductors and its application to assessing charge carrier mobility of p-type amorphous oxide semiconductors			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	4	Pages	045208
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Amorphous semiconductors are usually characterized by a low charge carrier mobility, essentially related to their lack of long-range order. The development of such material with higher charge carrier mobility is hence challenging. Part of the issue comes from the difficulty encountered by first-principles simulations to evaluate concepts such as the electron effective mass for disordered systems since the absence of periodicity induced by the disorder precludes the use of common concepts derived from condensed matter physics. In this paper, we propose a methodology based on first-principles simulations that partially solves this problem, by quantifying the degree of delocalization of a wave function and of the connectivity between the atomic sites within this electronic state. We validate the robustness of the proposed formalism on crystalline and molecular systems and extend the insights gained to disordered/amorphous InGaZnO4 and Si. We also explore the properties of p-type oxide semiconductor candidates recently reported to have a low effective mass in their crystalline phases [G. Hautier et al., Nat. Commun. 4, 2292 (2013)]. Although in their amorphous phase none of the candidates present a valence band with delocalization properties matching those found in the conduction band of amorphous InGaZnO4, three of the seven analyzed materials show some potential. The most promising candidate, K2Sn2O3, is expected to possess in its amorphous phase a slightly higher hole mobility than the electron mobility in amorphous silicon.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000423427600005	Publication Date	2018-01-25
	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	2	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:149318			Serial	4943
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	Author	Aslani, Z.; Sisakht, E.T.; Fazileh, F.; Ghorbanfekr-Kalashami, H.; Peeters, F.M.
	Title	Conductance fluctuations of monolayer GeSnH₂$ in the topological phase using a low-energy effective tight-binding Hamiltonian			Type	A1 Journal article
	Year	2019	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	99	Issue	11	Pages	115421
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	An effective tight-binding (TB) Hamiltonian for monolayer GeSnH2 is constructed which has an inversion-asymmetric honeycomb structure. The low-energy band structure of our TB model agrees very well with previous ab initio calculations even under biaxial tensile strain. Our model predicts a phase transition at 7.5% biaxial tensile strain in agreement with DFT calculations. Upon 8.5% strain the system exhibits a band gap of 134 meV, suitable for room temperature applications. It is shown that an external applied magnetic field produces a special phase which is a combination of the quantum Hall (QH) and quantum spin Hall (QSH) phases; and at a critical magnetic field strength the QSH phase completely disappears. The topological nature of the phase transition is confirmed from: (1) the calculation of the Z(2) topological invariant, and (2) quantum transport properties of disordered GeSnH2 nanoribbons which allows us to determine the universality class of the conductance fluctuations. The application of an external applied magnetic field reduces the conductance fluctuations by a factor of root 2.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000461958900006	Publication Date	2019-03-15
	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	2	Open Access
	Notes	; This work was supported by the FLAG-ERA project TRANS-2D-TMD. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:158538			Serial	5199
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	Author	Fernandez, M.S.; Peeters, F.M.; Neek-Amal, M.
	Title	Electric-field-induced structural changes in water confined between two graphene layers			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	4	Pages	045436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000381485200005	Publication Date	2016-07-27
	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	31	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:144684			Serial	4649
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	Author	Zebrowski, D.P.; Peeters, F.M.; Szafran, B.
	Title	Double quantum dots defined in bilayer graphene			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	3	Pages	035434
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding method and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite parities on sublattices of the layers and that the ground-state wave-function components change from bonding to antibonding with the interdot distance. In the weak-coupling limit, the one most relevant for quantum dots defined electrostatically, the signatures of the interdot coupling include, for the two-electron ground state, formation of states with symmetric or antisymmetric spatial wave functions split by the exchange energy. In the high-energy part of the spectrum the states with both electrons in the same dot are found with the splitting of energy levels corresponding to simultaneous tunneling of the electron pair from one dot to the other.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000406284200005	Publication Date	2017-07-26
	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	6	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:145758			Serial	4739
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	Author	Wang, J.; Andelkovic, M.; Wang, G.; Peeters, F.M.
	Title	Molecular collapse in graphene: Sublattice symmetry effect			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	102	Issue	6	Pages	064108-8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Atomic collapse can be observed in graphene because of its large “effective” fine structure constant, which enables this phenomenon to occur for an impurity charge as low as Z(c) similar to 1-2. Here we investigate the effect of the sublattice symmetry on molecular collapse in two spatially separated charge tunable vacancies, which are located on the same (A-A type) or different (A-B type) sublattices. We find that the broken sublattice symmetry: (1) does not affect the location of the main bonding and antibonding molecular collapse peaks, (2) but shifts the position of the satellite peaks, because they are a consequence of the breaking of the local sublattice symmetry, and (3) there are vacancy characteristic collapse peaks that only occur for A-B type vacancies, which can be employed to distinguish them experimentally from the A-A type. As the charge, energy, and separation distance increase, the additional collapse features merge with the main molecular collapse peaks. We show that the spatial distribution around the vacancy site of the collapse states allows us to differentiate the molecular from the frustrated collapse.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000562320700002	Publication Date	2020-08-25
	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	3.7	Times cited	1	Open Access
	Notes	; This work was supported by the National Natural Science Foundation of China (Grants No. 61874038 and No. 61704040), National Key R&D Program Grant 2018YFE0120000, the scholarship from China Scholarship Council (CSC: 201908330548), and TRANS2DTMD FlagEra project. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:172065			Serial	6562
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	Author	Wang, J.; Van Pottelberge, R.; Jacobs, A.; Van Duppen, B.; Peeters, F.M.
	Title	Confinement and edge effects on atomic collapse in graphene nanoribbons			Type	A1 Journal article
	Year	2021	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	103	Issue	3	Pages	035426
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Atomic collapse in graphene nanoribbons behaves in a fundamentally different way as compared to monolayer graphene due to the presence of multiple energy bands and the effect of edges. For armchair nanoribbons we find that bound states gradually transform into atomic collapse states with increasing impurity charge. This is very different in zigzag nanoribbons where multiple quasi-one-dimensional bound states are found that originates from the zero-energy zigzag edge states. They are a consequence of the flat band and the electron distribution of these bound states exhibits two peaks. The lowest-energy edge state transforms from a bound state into an atomic collapse resonance and shows a distinct relocalization from the edge to the impurity position with increasing impurity charge.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000610779200008	Publication Date	2021-01-22
	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	8	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:176585			Serial	6719
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	Author	Plumadore, R.; Baskurt, M.; Boddison-Chouinard, J.; Lopinski, G.; Modarresi, M.; Potasz, P.; Hawrylak, P.; Sahin, H.; Peeters, F.M.; Luican-Mayer, A.
	Title	Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	102	Issue	20	Pages	205408
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Atomic scale defects in semiconductors enable their technological applications and realization of different quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS2. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000587595800007	Publication Date	2020-11-09
	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	3.7	Times cited	6	Open Access
	Notes	; The authors acknowledge funding from National Sciences and Engineering Research Council (NSERC) Discovery Grant No. RGPIN-2016-06717. We also acknowledge the support of the Natural Sciences and Engineering Research Council of Canada (NSERC) through QC2DM Strategic Project No. STPGP 521420. P.H. thanks uOttawa Research Chair in Quantum Theory of Materials for support. P.P. acknowledges partial financial support from National Science Center (NCN), Poland, Grant Maestro No. 2014/14/A/ST3/00654, and calculations were performed in theWroclaw Center for Networking and Supercomputing. H.S. acknowledges financial support from TUBITAK under Project No. 117F095 and from Turkish Academy of Sciences under the GEBIP program. Our computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:173525			Serial	6584
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	Author	Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
	Title	Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	11	Pages	115413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000443916200007	Publication Date	2018-09-06
	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	19	Open Access
	Notes	; This work was supported by the Methusalem program of the Flemish government and the graphene FLAG-ERA project TRANS-2D-TMD. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:153649UA @ admin @ c:irua:153649			Serial	5090
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	Author	Xiao, Y.M.; Xu, W.; Peeters, F.M.; Van Duppen, B.
	Title	Multicomponent plasmons in monolayer MoS₂ with circularly polarized optical pumping			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	8	Pages	085405
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	By making use of circularly polarized light and electrostatic gating, monolayer molybdenum disulfide (ML – MoS2) can form a platform supporting multiple types of charge carriers. They can be discriminated by their spin, valley index, or whether they are electrons or holes. We investigate the collective properties of those charge carriers and are able to identify distinct plasmon modes. We analyze the corresponding dispersion relation, lifetime, and oscillator strength, and calculate the phase relation between the oscillations in the different components of the plasmon modes. All platforms in ML-MoS2 support a long-wavelength root q plasmon branch at zero kelvins. In addition to this, for an n-component system, n-1 distinct plasmon modes appear as acoustic modes with linear dispersion in the long-wavelength limit. These modes correspond to out-of-phase oscillations in the different fermion liquids and have, although being damped, a relatively long lifetime. Additionally, we also find distinct modes at large wave vectors that are more strongly damped by intraband processes.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000406861600001	Publication Date	2017-08-04
	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	2	Open Access
	Notes	; Y.M.X. acknowledges financial support from the China Scholarship Council (CSC). B.V.D. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. This work was also supported by the National Natural Science Foundation of China (Grants No. 11574319 and No. 11304272), the Ministry of Science and Technology of China (Grant No. 2011YQ130018), the Department of Science and Technology of Yunnan Province, the Applied Basic Research Foundation of Yunnan Province (2013FD003), and the Chinese Academy of Sciences. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:145729			Serial	4745
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