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	Author	Verberck, B.; Vliegenthart, G.A.; Gompper, G.
	Title	Orientational ordering in solid C₆₀ fullerene-cubane			Type	A1 Journal article
	Year	2009	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	130	Issue	15	Pages	154510,1-154510,14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000265486300036	Publication Date	2009-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.965; 2009 IF: 3.093
	Call Number	UA @ lucian @ c:irua:77258			Serial	2519
Permanent link to this record



	Author	da Costa, W.B.; Peeters, F.M.
	Title	Phase diagram for large two dimensional bipolarons in a magnetic field			Type	A1 Journal article
	Year	1998	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	57	Issue		Pages	10569-10575
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000073464500063	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	8	Open Access
	Notes				Approved	Most recent IF: 3.836; 1998 IF: NA
	Call Number	UA @ lucian @ c:irua:24168			Serial	2581
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	Author	Bussmann-Holder, A.; Dalal, N.; Michel, K.H.
	Title	Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems			Type	A1 Journal article
	Year	2000	Publication	The journal of physics and chemistry of solids T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA	Abbreviated Journal	J Phys Chem Solids
	Volume	61	Issue	2	Pages	271-274
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	Pergamon-elsevier science ltd	Place of Publication	Oxford	Editor
	Language		Wos	000084147000020	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3697;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.059	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.059; 2000 IF: 1.003
	Call Number	UA @ lucian @ c:irua:103469			Serial	2660
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	Author	Farias, G.A.; Peeters, F.M.
	Title	Polaron impurity states on a liquid helium film			Type	A1 Journal article
	Year	1997	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	55	Issue		Pages	3763-3768
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1997WJ87500071	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	8	Open Access
	Notes				Approved	Most recent IF: 3.836; 1997 IF: NA
	Call Number	UA @ lucian @ c:irua:19288			Serial	2669
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	Author	Chang, K.; Xia, J.B.; Wu, H.B.; Feng, S.L.; Peeters, F.M.
	Title	Quantum-confined magneto-Stark effect in diluted magnetic semiconductor coupled quantum wells			Type	A1 Journal article
	Year	2002	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	80	Issue	10	Pages	1788-1790
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The magneto-Stark effect in a diluted magnetic semiconductor (DMS) coupled quantum well (CQW) induced by an in-plane magnetic field is investigate theoretically. Unlike the usual electro-Stark effects, in a DMS CQW the Lorenz force leads to a spatially separated exciton. The in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center of mass (CM)/momentum to a finite CM momentum, and render the ground state of magnetoexciton stable against radiative recombination due to momentum conservation. (C) 2002 American Institute of Physics.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000174181800036	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 3.411; 2002 IF: 4.207
	Call Number	UA @ lucian @ c:irua:94932			Serial	2775
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	Author	Vasilopoulos; Peeters, F.M.
	Title	Quantum magnetotransport of a 2-dimensional electron-gas subject to periodic electric or magnetic modulations			Type	A1 Journal article
	Year	1991	Publication	Physica scripta : supplements T2 – 11TH GENERAL CONF OF THE CONDENSED MATTER DIVISION OF THE EUROPEAN, PHYSICAL SOC, APR 08-11, 1991, EXETER, ENGLAND	Abbreviated Journal	Phys Scripta
	Volume	T39	Issue		Pages	177-181
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Electrical transport properties of the two-dimensional electron gas are studied in the presence of a perpendicular magnetic field B = Bz and of a weak one-dimensional electric (V0 cos (Kx)) or magnetic (B0 = B0 cos (Kx)z) modulation where B0 << B, K = 2-pi/a, and a is the modulation period. In either case the discrete Landau levels broaden into bands whose width: (1) is proportional to the modulation strength, (2) it oscillates with B, and (3) it gives rise to magnetoresistance oscillations, at low B, that are different in period and temperature dependence from the Shubnikov-de Haas (SdH) ones, at higher B. For equal energy modulation strengths, V0 = heB0/m*, the magnetic bandwidth at the Fermi energy is about one order of magnitude larger than the electric one. The same holds for the oscillation amplitude of the electrical magnetoresistivity tensor. For two-dimensional modulations the energy spectrum has the same structure but with different scales. For weak magnetic fields and equal modulation strengths the gaps in the spectrum can be much larger in the magnetic case thus making easier the observability of the spectrum's fine structure.
	Address
	Corporate Author				Thesis
	Publisher	Royal swedish acad sciences	Place of Publication	Stockholm	Editor
	Language		Wos	A1991GV57300028	Publication Date	2007-01-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-8949;1402-4896;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.126	Times cited	8	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
	Call Number	UA @ lucian @ c:irua:95508			Serial	2778
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	Author	Vasilopoulos, P.; Peeters, F.M.
	Title	Quantum magnetotransport of a two-dimensional electron gas subject to periodic electric and magnetic modulations			Type	A1 Journal article
	Year	1991	Publication	Physica scripta	Abbreviated Journal	Phys Scripta
	Volume	T39	Issue		Pages	177-181
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Stockholm	Editor
	Language		Wos	A1991GV57300028	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-8949	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.126	Times cited	8	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
	Call Number	UA @ lucian @ c:irua:968			Serial	2779
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	Author	Krstajic, P.; Peeters, F.M.
	Title	Spin-dependent tunneling in diluted magnetic semiconductor trilayer structures			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	72	Issue	12	Pages	125350-125356
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Tunneling of holes through a trilayer structure made of two diluted magnetic semiconductors, (Ga,Mn)As, separated by a thin layer of nonmagnetic AlAs is investigated. The problem is treated within the 6x6 Luttinger-Kohn model for valence bands with the split-off band included. The influence of the spin-orbit coupling is pronounced as the spin-splitting Delta(ex) is comparable with the split-off Delta(SO) splitting. It is assumed that direct tunneling is the dominant mechanism due to the high quality of the tunnel junctions. Our theoretical results predict the correct order of magnitude for the tunneling magnetoresistance ratio, but various other effects, such as scattering on impurities and defects, should be included in order to realize a quantitative agreement with experiment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000232229400116	Publication Date	2005-09-30
	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	8	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ lucian @ c:irua:104068			Serial	3086
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	Author	Ferreira, W.P.; Partoens, B.; Peeters, F.M.; Farias, G.A.
	Title	Structural phase transitions and unusual melting behavior in a classical two-dimensional Coulomb bound cluster			Type	A1 Journal article
	Year	2005	Publication	Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics	Abbreviated Journal	Phys Rev E
	Volume	71	Issue		Pages	021501,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000228245700023	Publication Date	2005-02-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1539-3755;1550-2376;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.366	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.366; 2005 IF: 2.418
	Call Number	UA @ lucian @ c:irua:62445			Serial	3251
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	Author	Vansweevelt, R.; Mortet, V.; D' Haen, J.; Ruttens, bart; van Haesendonck, C.; Partoens, B.; Peeters, F.M.; Wagner, P.
	Title	Study on the giant positive magnetoresistance and Hall effect in ultrathin graphite flakes			Type	A1 Journal article
	Year	2011	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	208	Issue	6	Pages	1252-1258
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this paper, we report on the electronic transport properties of mesoscopic, ultrathin graphite flakes with a thickness corresponding to a stack of 150 graphene layers. The graphite flakes show an unexpectedly strong positive magnetoresistance (PMR) already at room temperature, which scales in good approximation with the square of the magnetic field. Furthermore, we show that the resistivity is unaffected by magnetic fields oriented in plane with the graphene layers. Hall effect measurements indicate that the charge carriers are p-type and their concentration increases with increasing temperature while the mobility is decreasing. The Hall voltage is non-linear in higher magnetic fields. Possible origins of the observed effects are discussed. Ball and stick model of the two topmost carbon layers of the hexagonal graphite structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000292945800008	Publication Date	2011-02-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	8	Open Access
	Notes	; The authors gratefully acknowledge the support by FWO – Research Foundation Flanders (project G.0159.07 “Structural and electronic properties of biologically modified, graphene-based layers”), by the Federal Belgian Interuniversity Attraction Poles Programme BELSPO (project TAP VI P6/42 “Quantum effects in clusters and nanowires”) and by the Methusalem network “NANO – Antwerp-Hasselt,” funded by the Flemish Community. Technical assistance by Stoffel D. Janssens (magnet calibration and software development), Dr. Hong Yin (AFM-based thickness studies), Dr. Ronald Thoelen (data analysis), and Prof. Hans-Gerd Boyen (XPS spectroscopy) is greatly appreciated. ;			Approved	Most recent IF: 1.775; 2011 IF: 1.463
	Call Number	UA @ lucian @ c:irua:91941			Serial	3343
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	Author	Doria, M.M.; de Romaguera, A.R.C.; Peeters, F.M.
	Title	The ground states of the two-component order parameter superconductor			Type	A1 Journal article
	Year	2010	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	92	Issue	1	Pages	17004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000284469900027	Publication Date	2010-10-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075;1286-4854;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	8	Open Access
	Notes	; ;			Approved	Most recent IF: 1.957; 2010 IF: 2.753
	Call Number	UA @ lucian @ c:irua:95558			Serial	3584
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	Author	Nasirpouri, F.; Engbarth, M.A.; Bending, S.J.; Peter, L.M.; Knittel, A.; Fangohr, H.; Milošević, M.V.
	Title	Three-dimensional ferromagnetic architectures with multiple metastable states			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	98	Issue	22	Pages	222506,1-222506,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We demonstrate controllable dual-bath electrodeposition of nickel on architecture-tunable three-dimensional (3D) silver microcrystals. Magnetic hysteresis loops of individual highly faceted Ag-Ni core-shell elements reveal magnetization reversal that comprises multiple sharp steps corresponding to different stable magnetic states. Finite-element micromagnetic simulations on smaller systems show several jumps during magnetization reversal which correspond to transitions between different magnetic vortex states. Structures of this type could be realizations of an advanced magnetic data storage architecture whereby each element represents one multibit, storing a combination of several conventional bits depending on the overall number of possible magnetic states associated with the 3D core-shell shape.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000291405700044	Publication Date	2011-06-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes	; This work was supported by EPSRC in the U.K. under Grant Nos. EP/E039944/1 and EP/E040063/1, DYNAMAG project (EU FP7/2007-2013 Grant No. 233552), and FWO-Vlaanderen. ;			Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:90008			Serial	3652
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	Author	Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K.
	Title	Tuning of anisotropy in two-electron quantum dots by spin-orbit interactions			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	99	Issue	3	Pages	032102,1-032102,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the influence of the spin-orbit interactions (SOIs) on the electron distribution and the optical absorption of a two-electron quantum dot. It is shown that the interplay between the SOIs makes the two-electron quantum dot behave like two laterally coupled quantum dots and the anisotropic distribution can be rotated from [110] to [11®0] by reversing the direction of the perpendicular electric field and detect it through the optical absorption spectrum.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000293679000026	Publication Date	2011-07-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes	; This work was supported by NSFC Grants No. 16760525405, 10874175 and 11004017 and the Belgian Science Policy 168(IAP). ;			Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:92473			Serial	3749
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	Author	Payette, C.; Austing, D.G.; Yu, G.; Gupta, J.A.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S.
	Title	Two-level anti-crossings high up in the single-particle energy spectrum of a quantum dot			Type	A1 Journal article
	Year	2008	Publication	Physica. E: Low-dimensional systems and nanostructures	Abbreviated Journal	Physica E
	Volume	40	Issue	6	Pages	1807-1810
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000255717400010	Publication Date	2007-09-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1386-9477;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.221	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.221; 2008 IF: 1.230
	Call Number	UA @ lucian @ c:irua:69132			Serial	3783
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	Author	Partoens, B.; Peeters, F.M.
	Title	Two vertically coupled quantum dots in a magnetic field			Type	A1 Journal article
	Year	2001	Publication	Physica: B : condensed matter	Abbreviated Journal	Physica B
	Volume	298	Issue		Pages	282-286
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000168992800058	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4526;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.386	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 1.386; 2001 IF: 0.663
	Call Number	UA @ lucian @ c:irua:34350			Serial	3787
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
	Title	Vortex lattice in effective type-I superconducting films with periodic arrays of submicron holes			Type	A1 Journal article
	Year	2006	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	437/438	Issue		Pages	25-28
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000238395700008	Publication Date	2006-01-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.404	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 1.404; 2006 IF: 0.792
	Call Number	UA @ lucian @ c:irua:58358			Serial	3867
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	Author	Milošević, M.V.; Peeters, F.M.; Jankó, B.
	Title	Vortex manipulation in superconducting films with tunable magnetic topology			Type	A1 Journal article
	Year	2011	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	24	Issue	2	Pages	024001-024001,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using a combination of the phenomenological GinzburgLandau theory and micromagnetic simulations, we study properties of a superconducting film with an array of soft magnetic dots on top. An external in-plane magnetic field gradually drives the magnets from an out-of-plane or magnetic vortex state to an in-plane single-domain state, which changes spatially the distribution of the superconducting condensate. If induced by the magnets, the vortexantivortex molecules exhibit rich transitions as a function of the applied in-plane field. At the same time, we show how the magnetic dots act as very effective dynamic pinning centers for vortices in an applied perpendicular magnetic field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000286379900002	Publication Date	2011-01-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-2048;1361-6668;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.878	Times cited	8	Open Access
	Notes	; This research was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the JSPS/ESF-NES program, the bilateral project between Flanders and the USA, NSF NIRT, ECS-0609249, and the Institute for Theoretical Sciences. ;			Approved	Most recent IF: 2.878; 2011 IF: 2.662
	Call Number	UA @ lucian @ c:irua:88731			Serial	3870
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	Author	Xu, B.; Milošević, M.V.; Peeters, F.M.
	Title	Vortex matter in oblate mesoscopic superconductors with a hole: broken symmetry vortex states and multi-vortex entry			Type	A1 Journal article
	Year	2009	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	11	Issue		Pages	013020,1-013020,21
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using three-dimensional (3D) numerical discretization of the GinzburgLandau (GL) equations, we investigate the superconducting state of a sphere with a piercing hole in the presence of a magnetic field. In the case of samples with central perforation, in axially applied homogeneous magnetic field, we realized unconventional vortex states of broken symmetry due to complex, 3D competing interactions, which depend on the GL parameter ê. For certain sizes of the sample, non-hysteretic multi-vortex entry and exit is predicted with the non-existence of some vorticities as stable states. In a tilted magnetic field, we studied the gradual transformation of 3D flux patterns into 1D vortex chains, where vortices align along the perforation, and the evolvement of the multi-vortex entry as well. We analyze the flux-guiding ability of the hole in a tilted field, which leads to fractional flux response in magnetization M(H) curves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000262932500003	Publication Date	2009-01-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1367-2630;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.786	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 3.786; 2009 IF: 3.312
	Call Number	UA @ lucian @ c:irua:75986			Serial	3873
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	Author	Saqlain, M.A.; Hussain, A.; Siddiq, D.M.; Leenaerts, O.; Leitão, A.A.
	Title	DFT Study of Synergistic Catalysis of the Water-Gas-Shift Reaction on Cu-Au Bimetallic Surfaces			Type	A1 Journal article
	Year	2016	Publication	ChemCatChem	Abbreviated Journal	Chemcatchem
	Volume	8	Issue	8	Pages	1208-1217
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The water-gas-shift reaction (WGSR) is an important industrial process that can be significantly enhanced at suitable catalyst surfaces. In this work, we investigate the catalytic behavior of metallic Cu(1 0 0) and bimetallic Cu–Au(1 0 0) surfaces. With density functional theory calculations, the variation in the Gibbs free energy (ΔG°), the activation barriers, and the rate constants for the WGSR are calculated. The variation in ΔG° for water dissociation shows that the process is spontaneous up to 520 K on the bimetallic surface and up to 229 K on the Cu(1 0 0) surface. The calculated rate constants for the process also show that the bimetallic surface is much more reactive than the Cu(1 0 0) surface. The calculated pressure–temperature phase diagram for water dissociation shows that the partial pressure of H2O required for water dissociation on the bimetallic surface is substantially lower than that on the Cu(1 0 0) surface at all the studied temperatures. Additionally, the calculations demonstrate that the kinetics of the water-gas-shift reaction is dominated by redox processes on both the surfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373074900026	Publication Date	2016-02-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1867-3880	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.803	Times cited	8	Open Access
	Notes	; The authors would like to thank the Brazilian agencies CNPq, CAPES, FAPEMIG (CEX-PPM-00262/13), and TWAS for financial support and CENAPAD-SP for computational facilities. M.A. Saqlain pays special thanks to all the members of GFQSI for making his stay in Brazil memorable. ;			Approved	Most recent IF: 4.803
	Call Number	c:irua:133236			Serial	4070
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	Author	Andrikopoulos, D.; Sorée, B.; De Boeck, J.
	Title	Skyrmion-induced bound states on the surface of three-dimensional topological insulators			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	119	Pages	193903
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interaction between the surface of a 3D topological insulator and a skyrmion/anti-skyrmion structure is studied in order to investigate the possibility of electron confinement due to the skyrmion presence. Both hedgehog (Neel) and vortex (Bloch) skyrmions are considered. For the hedgehog skyrmion, the in-plane components cannot be disregarded and their interaction with the surface state of the topological insulator (TI) has to be taken into account. A semi-classical description of the skyrmion chiral angle is obtained using the variational principle. It is shown that both the hedgehog and the vortex skyrmion can induce bound states on the surface of the TI. However, the number and the properties of these states depend strongly on the skyrmion type and the skyrmion topological number N-Sk. The probability densities of the bound electrons are also derived where it is shown that they are localized within the skyrmion region. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000377718100013	Publication Date	2016-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	8	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:134607			Serial	4244
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	Author	Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y.
	Title	Can p-channel tunnel field-effect transistors perform as good as n-channel?			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	105	Issue	4	Pages	043103
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000341152600067	Publication Date	2014-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes	; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ;			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:134433			Serial	4587
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	Author	Partoens, B.
	Title	Spinorbit interactions : hide and seek			Type	A1 Journal article
	Year	2014	Publication	Nature physics	Abbreviated Journal	Nat Phys
	Volume	10	Issue		Pages	333-334
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	It is commonly believed that solids with spatial inversion symmetry do not display spinorbit effects. However, first-principles calculations now reveal unexpected spin structure for centrosymmetric crystals
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000335371200003	Publication Date	2014-04-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1745-2473; 1745-2481	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	22.806	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 22.806; 2014 IF: 20.147
	Call Number	UA @ lucian @ c:irua:141068			Serial	4608
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	Author	Volodin, A.; Van Haesendonck, C.; Leenaerts, O.; Partoens, B.; Peeters, F.M.
	Title	Stress dependence of the suspended graphene work function : vacuum Kelvin probe force microscopy and density functional theory			Type	A1 Journal article
	Year	2017	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	110	Issue	19	Pages	193101
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report on work function measurements on graphene, which is exfoliated over a predefined array of wells in silicon oxide, by Kelvin probe force microscopy operating in a vacuum. The obtained graphene sealed microchambers can support large pressure differences, providing controllable stretching of the nearly impermeable graphene membranes. These measurements allow detecting variations of the work function induced by the mechanical stresses in the suspended graphene where the work function varies linearly with the strain and changes by 62 +/- 2 meV for 1 percent of strain. Our related ab initio calculations result in a work function variation that is a factor of 1.4 larger than the experimental value. The limited discrepancy between the theory and the experiment can be accounted for by a charge transfer from the unstrained to the strained graphene regions. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000402319200036	Publication Date	2017-05-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes	; The authors wish to thank A. Klekachev (IMEC Leuven, Belgium) for the fabrication of the samples. This work was supported by the Science Foundation-Flanders (FWO, Belgium). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-Department EWI. The Hercules Foundation also funded the scanning probe microscopy equipment. ;			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:144279			Serial	4690
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	Author	Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P.
	Title	Self-assembly of rigid magnetic rods consisting of single dipolar beads in two dimensions			Type	A1 Journal article
	Year	2017	Publication	Physical review E	Abbreviated Journal	Phys Rev E
	Volume	96	Issue	1	Pages	012603
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Molecular dynamics simulations are used to investigate the structural properties of a two-dimensional ensemble of magnetic rods, which are modeled as aligned single dipolar beads. The obtained self-assembled configurations can be characterized as (1) clusters, (2) percolated, and (3) ordered structures, and their structural properties are investigated in detail. By increasing the aspect ratio of the magnetic rods, we show that the percolation transition is suppressed due to the reduced mobility of the rods in two dimensions. Such a behavior is opposite to the one observed in three dimensions. A magnetic bulk phase is found with local ferromagnetic order and an unusual nonmonotonic behavior of the nematic order is observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000405713900014	Publication Date	2017-07-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2470-0045;2470-0053;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.366	Times cited	8	Open Access
	Notes	; This work was supported by the Brazilian agencies FUNCAP, CAPES, program Science without borders, and CNPq (Project No. 400748/2013-4), the joint CNPq-FWO bilateral project, and the Flemish Science Foundation (FWO-V1). ;			Approved	Most recent IF: 2.366
	Call Number	UA @ lucian @ c:irua:145210			Serial	4723
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	Author	Arsoski, V.V.; Grujić, M.M.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M.
	Title	Normal and skewed phosphorene nanoribbons in combined magnetic and electric fields			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	96	Issue	12	Pages	125434
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The energy spectrum and eigenstates of single-layer black phosphorus nanoribbons in the presence of a perpendicular magnetic field and an in-plane transverse electric field are investigated by means of a tight-binding method, and the effect of different types of edges is examined analytically. A description based on a continuum model is proposed using an expansion of the tight-binding model in the long-wavelength limit. Thewave functions corresponding to the flatband part of the spectrum are obtained analytically and are shown to agree well with the numerical results from the tight-binding method for both narrow (10 nm) and wide (100 nm) nanoribbons. Analytical expressions for the critical magnetic field at which Landau levels are formed and the ranges of wave numbers in the dispersionless flatband segments in the energy spectra are derived. We examine the evolution of the Landau levels when an in-plane lateral electric field is applied, and we determine analytically how the edge states shift withmagnetic field. For wider nanoribbons, the conductance is shown to have a characteristic staircase shape in combined magnetic and electric fields. Some of the stairs in zigzag and skewed armchair nanoribbons originate from edge states that are found in the band gap.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000411572400008	Publication Date	2017-09-25
	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	8	Open Access
	Notes	; This work was supported by Erasmus+, the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:146738			Serial	4791
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	Author	Kong, X.; Li, L.; Peeters, F.M.
	Title	Topological Dirac semimetal phase in <tex> $Ge_xSn_y alloys			Type	A1 Journal article
	Year	2018	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	112	Issue	25	Pages	251601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recently, two stable allotropes (germancite and stancite) for the group IV elements (Ge and Sn) with a staggered layered dumbell structure were proposed to be three-dimensional (3D) topological Dirac semimetals [Phys. Rev. B 93, 241117 (2016)]. A pair of Dirac points is on the rotation axis away from the time-reversal invariant momentum, and the stability of the 3D bulk Dirac points is protected by the C-3 rotation symmetry. Here, we use the first principles calculations to investigate GexSny alloys which share the same rhombohedral crystal structure with the space group of D-3d(6). Six GexSny alloys are predicted to be energetically and dynamically stable, where (x, y) = (8, 6) and (6, 8) and the alpha and beta phases of (10, 4) and (4, 10). Our results demonstrate that all the six GexSny alloys are topological Dirac semimetals. The different nontrivial surface states and surface Fermi arcs are identified. Our work will substantially enrich the family of 3D Dirac semimetals which are within the reach of experimental realization. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000435987400013	Publication Date	2018-06-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes	; This work was supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-VI), and the FLAG-ERA Project TRANS 2D TMD. 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, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ;			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:151970UA @ admin @ c:irua:151970			Serial	5045
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	Author	Van der Donck, M.; Peeters, F.M.
	Title	Rich many-body phase diagram of electrons and holes in doped monolayer transition metal dichalcogenides			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	11	Pages	115432
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We use a variational technique to study the many-body phase diagram of electrons and holes in n-doped and p-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. (i) A fully spin polarized and valley polarized ferromagnetic state. (ii) A state with no global spin polarization but with spin polarization in each valley separately, i.e., spin-valley locking. (iii) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. (iv) A paramagnetic state with no valley polarization. These phases are separated by first-order phase transitions and are determined by the particle density and the dielectric constant of the substrate. We find that in the presence of a perpendicular magnetic field the four different phases persist. In the case of n-doped MoS2, a fifth phase, which is completely valley polarized but not spin polarized, appears for magnetic fields larger than 7 T and for magnetic fields larger than 23 T completely replaces the second phase.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000445507000009	Publication Date	2018-09-24
	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
	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 @ lucian @ c:irua:153622UA @ admin @ c:irua:153622			Serial	5125
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	Author	Van Pottelberge, R.; Van Duppen, B.; Peeters, F.M.
	Title	Electrical dipole on gapped graphene : bound states and atomic collapse			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	16	Pages	165420
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z alpha for different sizes of the dipole and for different regularization parameters. The dipole is modeled as consisting of a positive and negative charge. Bound states are found within the gap region with some energy levels that anticross and others that cross as function of the impurity strength Z alpha. The anticrossings are more pronounced and move to higher charges Z alpha when the length of the dipole decreases. These energy levels turn into atomic collapse states when they enter the positive (or negative) energy continuum. A smooth transition from the single-impurity behavior to the dipole one is observed: The states diving towards the continuum in the single-impurity case are gradually replaced by a series of anticrossings that represent a continuation of the diving states in the single-impurity case. By studying the local density of states at the edge of the dipole we show how the series of anticrossings persist in the positive and negative continuum.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000447302700010	Publication Date	2018-10-23
	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	8	Open Access
	Notes	; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research grant for R.V.P. and a postdoctoral grant for B.V.D. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:154728UA @ admin @ c:irua:154728			Serial	5094
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	Author	Vanherck, J.; Bacaksiz, C.; Sorée, B.; Milošević, M.V.; Magnus, W.
	Title	2D ferromagnetism at finite temperatures under quantum scrutiny			Type	A1 Journal article
	Year	2020	Publication	Applied Physics Letters	Abbreviated Journal	Appl Phys Lett
	Volume	117	Issue	5	Pages	052401
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recent years have seen a tremendous rise of two-dimensional (2D) magnetic materials, several of which were verified experimentally. However, most of the theoretical predictions to date rely on ab initio methods, at zero temperature and fluctuation-free, while one certainly expects detrimental quantum fluctuations at finite temperatures. Here, we present the solution of the quantum Heisenberg model for honeycomb/hexagonal lattices with anisotropic exchange interaction up to third nearest neighbors and in an applied field in arbitrary direction, which answers the question whether long-range magnetization can indeed survive in the ultrathin limit of materials, up to which temperature, and what the characteristic excitation (magnon) frequencies are, all essential to envisaged applications of magnetic 2D materials. We find that long-range magnetic order persists at finite temperature for materials with overall easy-axis anisotropy. We validate the calculations on the examples of monolayers CrI3, CrBr3, and MnSe2. Moreover, we provide an easy-to-use tool to calculate Curie temperatures of new 2D computational materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000559330100001	Publication Date	2020-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4	Times cited	8	Open Access
	Notes	; This work was supported by the Research Foundation-Flanders (FWO) and the special research funds of the University of Antwerp (BOF-UA). ;			Approved	Most recent IF: 4; 2020 IF: 3.411
	Call Number	UA @ admin @ c:irua:171176			Serial	6445
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	Author	Zhao, X.N.; Xu, W.; Xiao, Y.M.; Liu, J.; Van Duppen, B.; Peeters, F.M.
	Title	Terahertz optical Hall effect in monolayer MoS₂ in the presence of proximity-induced interactions			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	24	Pages	245412-12
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of proximity-induced interactions such as Rashba spin-orbit coupling (SOC) and exchange interaction on the electronic and optical properties of n-type monolayer (ML) MoS2 is investigated. We predict and demonstrate that the Rashba SOC can induce an in-plane spin splitting with terahertz (THz) energy, while the exchange interaction lifts the energy degeneracy in different valleys. Thus, spin polarization can be achieved in an n-type ML MoS2 and valley Hall or optical Hall effect can be observed using linearly polarized THz radiation. In such a case, the transverse optical conductivity sigma(xy) (omega) results from spin-flip transition within spin-split conduction bands and from the fact that contributions from electrons with different spin orientations in different valleys can no longer be canceled out. Interestingly, we find that for fixed effective Zeeman field (or exchange interaction) the lowest spin-split conduction band in ML MoS2 can be tuned from one in the K valley to another one in the K' valley by varying the Rashba parameter lambda(R). Therefore, by changing lambda(R) we can turn the sign of the spin polarization and Im sigma(xy) (omega) from positive to negative. Moreover, we find that the dominant contribution of the selection rules to sigma(xx)(omega) is from electrons in the K valley and to sigma(xy) (omega) is from electrons in the K' valley. These important and interesting theoretical findings can be helpful to experimental observation of the optical Hall effect in valleytronic systems using linearly polarized THz radiation fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000538715500011	Publication Date	2020-06-09
	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	8	Open Access
	Notes	; This work was supported by the National Natural Science Foundation of China (Grants No. U1930116, No. U1832153, and No. 11574319) and the Center of Science and Technology of Hefei Academy of Science (Grant No. 2016FXZY002). ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:170206			Serial	6622
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