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	Author	Pizzochero, M.; Leenaerts, O.; Partoens, B.; Martinazzo, R.; Peeters, F.M.
	Title	Hydrogen adsorption on nitrogen and boron doped graphene			Type	A1 Journal article
	Year	2015	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	27	Issue	27	Pages	425502
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Hydrogen adsorption on boron and nitrogen doped graphene is investigated in detail by means of first-principles calculations. A comprehensive study is performed of the structural, electronic, and magnetic properties of chemisorbed hydrogen atoms and atom pairs near the dopant sites. The main effect of the substitutional atoms is charge doping which is found to greatly affect the adsorption process by increasing the binding energy at the sites closest to the substitutional species. It is also found that doping does not induce magnetism despite the odd number of electrons per atom introduced by the foreign species, and that it quenches the paramagnetic response of chemisorbed H atoms on graphene. Overall, the effects are similar for B and N doping, with only minor differences in the adsorption energetics due to different sizes of the dopant atoms and the accompanying lattice distortions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000362573500008	Publication Date	2015-10-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	20	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl). MP gratefully acknowledges the Condensed Matter Theory group at Universiteit Antwerpen for the hospitality during his stay.			Approved	Most recent IF: 2.649; 2015 IF: 2.346
	Call Number	c:irua:128759			Serial	3971
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	Author	Chen, Y.; Hong-Yu, W.; Peeters, F.M.; Shanenko, A.A.
	Title	Quantum-size effects and thermal response of anti-Kramer-Pesch vortex core			Type	A1 Journal article
	Year	2015	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	27	Issue	27	Pages	125701
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Since the 1960's it has been well known that the basic superconductive quantities can exhibit oscillations as functions of the thickness (diameter) in superconducting nanofilms (nanowires) due to the size quantization of the electronic spectrum. However, very little is known about the effects of quantum confinement on the microscopic properties of vortices. Based on a numerical solution to the Bogoliubov-de Gennes equations, we study the quantum-size oscillations of the vortex core resulting from the sequential interchange of the Kramer-Pesch and anti-Kramer-Pesch regimes with changing nanocylinder radius. The physics behind the anti-Kramer-Pesch anomaly is displayed by utilizing a semi-analytical Anderson approximate solution. We also demonstrate that the anti-Kramer-Pesch vortex core is robust against thermal smearing and results in a distinctive two-maxima structure in the local density of states, which can be used to identify the existence of the anti-Kramer-Pesch vortex.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000351294700018	Publication Date	2015-03-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	4	Open Access
	Notes	; This work was supported by the National Natural Science Foundation of China under Grant No. NSFC-11304134, the Flemish Science Foundation (FWO-Vl), and the Methusalem program. AAS acknowledges the support of the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). WHY acknowledges the support of Scientific Research Fund of Zhejiang Provincial Education Department (Y201120994). ;			Approved	Most recent IF: 2.649; 2015 IF: 2.346
	Call Number	c:irua:125460			Serial	2787
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	Author	Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M.
	Title	Ultra-small metallic grains : effect of statistical fluctuations of the chemical potential on superconducting correlations and vice versa			Type	A1 Journal article
	Year	2012	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	24	Issue	27	Pages	275701
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Superconducting correlations in an isolated metallic grain are governed by the interplay between two energy scales: the mean level spacing delta and the bulk pairing gap Delta(0), which are strongly influenced by the position of the chemical potential with respect to the closest single-electron level. In turn superconducting correlations affect the position of the chemical potential. Within the parity projected BCS model we investigate the probability distribution of the chemical potential in a superconducting grain with randomly distributed single-electron levels. Taking into account statistical fluctuations of the chemical potential due to the pairing interaction, we find that such fluctuations have a significant impact on the critical level spacing delta(c) at which the superconducting correlations cease: the critical ratio delta(c)/Delta(0) at which superconductivity disappears is found to be increased.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000305653100012	Publication Date	2012-06-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	9	Open Access
	Notes	; This work was supported by the European Community under the Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF network INSTANS. MDC and AAS are grateful to A Vagov for stimulating discussions. ;			Approved	Most recent IF: 2.649; 2012 IF: 2.355
	Call Number	UA @ lucian @ c:irua:100280			Serial	3793
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	Author	Rakhimov, K.Y.; Chaves, A.; Farias, G.A.; Peeters, F.M.
	Title	Wavepacket scattering of Dirac and Schrödinger particles on potential and magnetic barriers			Type	A1 Journal article
	Year	2011	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	23	Issue	27	Pages	275801,1-275801,16
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the dynamics of a charged particle moving in a graphene layer and in a two-dimensional electron gas, where it obeys the Dirac and the Schrödinger equations, respectively. The charge carriers are described as Gaussian wavepackets. The dynamics of the wavepackets is studied numerically by solving both quantum-mechanical and relativistic equations of motion. The scattering of such wavepackets by step-like magnetic and potential barriers is analysed for different values of wavepacket energy and width. We find: (1) that the average position of the wavepacket does not coincide with the classical trajectory, and (2) that, for slanted incidence, the path of the centre of mass of the wavepacket does not have to penetrate the barrier during the scattering process. Trembling motion of the charged particle in graphene is observed in the absence of an external magnetic field and can be enhanced by a substrate-induced mass term.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000291993600009	Publication Date	2011-06-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	32	Open Access
	Notes	; Discussions with A Matulis are gratefully acknowledged. KR is beneficiary of a mobility grant from the Belgian Federal Science Policy Office, co-funded by the European Commission and was supported in part by a grant of the Third World Academy of Sciences (ref. 09-188 RG/PHYS/AS-I). In addition, this work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the joint project CNPq-FWO, the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 2.649; 2011 IF: 2.546
	Call Number	UA @ lucian @ c:irua:90880			Serial	3908
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	Author	Milovanovic, S.P.; Peeters, F.M.
	Title	Characterization of the size and position of electron-hole puddles at a graphene p-n junction			Type	A1 Journal article
	Year	2016	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	27	Issue	27	Pages	105203
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The effect of an electron-hole puddle on the electrical transport when governed by snake states in a bipolar graphene structure is investigated. Using numerical simulations we show that information on the size and position of the electron-hole puddle can be obtained using the dependence of the conductance on magnetic field and electron density of the gated region. The presence of the scatterer disrupts snake state transport which alters the conduction pattern. We obtain a simple analytical formula that connects the position of the electron-hole puddle with features observed in the conductance. The size of the electron-hole puddle is estimated from the magnetic field and gate potential that maximizes the effect of the puddle on the electrical transport.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000369849200003	Publication Date	2016-02-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	3	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. We acknowledge interesting correspondence with Thiti Taychatanapat.			Approved	Most recent IF: 3.44
	Call Number	c:irua:131907			Serial	4025
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	Author	Kiymaz, D.; Yagmurcukardes, M.; Tomak, A.; Sahin, H.; Senger, R.T.; Peeters, F.M.; Zareie, H.M.; Zafer, C.
	Title	Controlled growth mechanism of poly (3-hexylthiophene) nanowires			Type	A1 Journal article
	Year	2016	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	27	Issue	27	Pages	455604
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Synthesis of 1D-polymer nanowires by a self-assembly method using marginal solvents is an attractive technique. While the formation mechanism is poorly understood, this method is essential in order to control the growth of nanowires. Here we visualized the time-dependent assembly of poly (3-hexyl-thiophene-2,5-diyl) (P3HT) nanowires by atomic force microscopy and scanning tunneling microscopy. The assembly of P3HT nanowires was carried out at room temperature by mixing cyclohexanone (CHN), as a poor solvent, with polymer solution in 1,2-dichlorobenzene (DCB). Both pi-pi stacking and planarization, obtained at the mix volume ratio of P3HT (in DCB):CHN (10:7), were considered during the investigation. We find that the length of nanowires was determined by the ordering of polymers in the polymer repetition direction. Additionally, our density functional theory calculations revealed that the presence of DCB and CHN molecules that stabilize the structural distortions due to tail group of polymers was essential for the core-wire formation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000386132600003	Publication Date	2016-10-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	24	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. HS is supported by a FWO Pegasus-Long Marie Curie Fellowship. HS and RTS acknowledge support from TUBITAK through Project No. 114F397. Also, DA is supported by the Scientific Research Project Fund of Ege University (Project Nr: 12GEE011). ;			Approved	Most recent IF: 3.44
	Call Number	UA @ lucian @ c:irua:138159			Serial	4350
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	Author	Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M.
	Title	Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip			Type	A1 Journal article
	Year	2016	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	27	Issue	27	Pages	335601
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000383780500012	Publication Date	2016-07-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	2	Open Access
	Notes	; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 3.44
	Call Number	UA @ lucian @ c:irua:137155			Serial	4363
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	Author	Tavernier, M.B.; Anisimovas, E.; Peeters, F.M.
	Title	Electron-vortex interaction in a quantum dot			Type	A1 Journal article
	Year	2004	Publication	International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 16th International Conference on High Magnetic Fields in Semiconductor, Physics, AUG 02-06, 2004, Florida State Univ, NHMFL, Tallahassee, FL	Abbreviated Journal	Int J Mod Phys B
	Volume	18	Issue	27-29	Pages	3633-3636
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Small numbers N < 5 of two-dimensional Coulomb-interacting electrons trapped in a parabolic potential placed in a perpendicular magnetic field are investigated. The reduced wave function of this system, which is obtained by fixing the positions of N-1 electrons, exhibits strong correlations between the electrons and the zeros. These zeros axe often called vortices. An exact-diagonalization scheme is used to obtain the wave functions and the results are compared with results obtained from the recently proposed rotating electron molecule (REM) theory. We find that the vortices gather around the fixed electrons and repel each other, which is to a much lesser extend so for the REM results.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Singapore	Editor
	Language		Wos	000227140200035	Publication Date	2005-04-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0217-9792;1793-6578;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	0.736	Times cited		Open Access
	Notes				Approved	Most recent IF: 0.736; 2004 IF: 0.361
	Call Number	UA @ lucian @ c:irua:102749			Serial	992
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	Author	Wang, X.F.; Vasilopoulos, P.; Peeters, F.M.
	Title	Influence of spin-orbit interaction on the magnetotransport of a periodically modulated two-dimensional electron gas			Type	A1 Journal article
	Year	2004	Publication	International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 16th International Conference on High Magnetic Fields in Semiconductor, Physics, AUG 02-06, 2004, Florida State Univ, NHMFL, Tallahassee, FL	Abbreviated Journal	Int J Mod Phys B
	Volume	18	Issue	27-29	Pages	3653-3656
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Transport properties of a two-dimensional electron gas (2DEG) are studied in the presence of a normal magnetic field B, of a weak one-dimensional (1D) periodic potential modulation V(x) = V(0)cos(Kx), and of the Rashba spin-orbit interaction (SOI) of strength a. For V(x) = 0 the SOI mixes the up and down spin states of neighboring Landau levels into two, unequally spaced energy branches. For V(x) not equal 0 these levels broaden into bands and their bandwidths oscillate with B. The n-th level bandwidth of each series vanishes at different values of B. Relative to the ID-modulated 2DEG without SOI and one flat-band condition, there are two flat-band conditions that depend on a and the transport coefficients can change considerably. For weak a the Weiss oscillations show beating patterns while for strong a the Shubnikov-de Haas ones axe split in two.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Singapore	Editor
	Language		Wos	000227140200040	Publication Date	2005-04-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0217-9792;1793-6578;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	0.736	Times cited		Open Access
	Notes				Approved	Most recent IF: 0.736; 2004 IF: 0.361
	Call Number	UA @ lucian @ c:irua:103199			Serial	1633
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	Author	Vasilopoulos, P.; Molnar, B.; Peeters, F.M.
	Title	Magnetoconductance through a chain of rings in the presence of spin-orbit interaction			Type	A1 Journal article
	Year	2004	Publication	International journal of modern physics: B: condensed matter physics, statistical physics, applied physics	Abbreviated Journal	Int J Mod Phys B
	Volume	18	Issue	27-29	Pages	3661-3664
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ballistic electron transport through a finite chain of quantum circular rings is studied in the presence of the Rashba coupling, of strength a, and of a perpendicular magnetic field B. The transmission and reflection coefficients for a single ring, obtained analytically, help obtain the conductance through a chain of rings as a function of the strength a, the field B, and of the wave vector k of the incident electron. Due to destructive spin interferences caused by the Rashba coupling the chain can be totally opaque for certain ranges of k the width of which depends on values of a and B. Outside these ranges the conductance oscillates with high values between e(2)/h and 2e(2)/h. The effect of a periodic modulation of a or B on the conductance gaps is investigated. A periodic, square-wave conductance pattern, pertinent to the development of the spin transistor, results within wide stripes in the parameter space spanned by k, a, and B. Finite temperatures smoothen the square-wave profile of the conductance but do not alter its periodic character.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Singapore	Editor
	Language		Wos	000227140200042	Publication Date	2005-04-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0217-9792;1793-6578;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.736	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 0.736; 2004 IF: 0.361
	Call Number	UA @ lucian @ c:irua:94787			Serial	1914
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	Author	Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M.
	Title	Effect of pinning on the response of superconducting strips to an external pulsed current			Type	A1 Journal article
	Year	2015	Publication	Superconductor science and technology	Abbreviated Journal	Supercond Sci Tech
	Volume	28	Issue	28	Pages	025004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000351046300010	Publication Date	2014-12-31
	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	19	Open Access
	Notes	; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ;			Approved	Most recent IF: 2.878; 2015 IF: 2.325
	Call Number	c:irua:125491			Serial	829
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	Author	Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
	Title	A two-component mixture of charged particles confined in a channel: melting			Type	A1 Journal article
	Year	2010	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	22	Issue	28	Pages	11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The melting of a binary system of charged particles confined in a quasi-one-dimensional parabolic channel is studied through Monte Carlo simulations. At zero temperature the particles are ordered in parallel chains. The melting is anisotropic and different melting temperatures are obtained according to the spatial direction, and the different kinds of particles present in the system. Melting is very different for the single-, two- and four-chain configurations. A temperature induced structural phase transition is found between two different four-chain ordered states which is absent in the mono-disperse system. In the mixed regime, where the two kinds of particles are only slightly different, melting is almost isotropic and a thermally induced homogeneous distribution of the distinct kinds of charges is observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000279257300023	Publication Date	2010-06-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	10	Open Access
	Notes	; This work was supported by CNPq, the Flemish Science Foundation (FWO-V1) and the bilateral program between Flanders and Brazil. ;			Approved	Most recent IF: 2.649; 2010 IF: 2.332
	Call Number	UA @ lucian @ c:irua:83862			Serial	3771
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	Author	Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M.
	Title	Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene			Type	A1 Journal article
	Year	2016	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	28	Issue	28	Pages	195301
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000374394700007	Publication Date	2016-04-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:133611			Serial	4185
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	Author	Cukaric, N.A.; Partoens, B.; Tadic, M.Z.; Arsoski, V.V.; Peeters, F.M.
	Title	The 30-band k . p theory of valley splitting in silicon thin layers			Type	A1 Journal article
	Year	2016	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	28	Issue	28	Pages	195303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000374394700009	Publication Date	2016-04-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.649	Times cited		Open Access
	Notes	; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:133610			Serial	4261
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	Author	Petrovic, M.D.; Milovanović, S.P.; Peeters, F.M.
	Title	Scanning gate microscopy of magnetic focusing in graphene devices : quantum versus classical simulation			Type	A1 Journal article
	Year	2017	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	28	Issue	28	Pages	185202
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We compare classical versus quantum electron transport in recently investigated magnetic focusing devices (Bhandari et al 2016 Nano Lett. 16 1690) exposed to the perturbing potential of a scanning gate microscope (SGM). Using the Landauer-Buttiker formalism for a multi-terminal device, we calculate resistance maps that are obtained as the SGM tip is scanned over the sample. There are three unique regimes in which the scanning tip can operate (focusing, repelling, and mixed regime) which are investigated. Tip interacts mostly with electrons with cyclotron trajectories passing directly underneath it, leaving a trail of modified current density behind it. Other (indirect) trajectories become relevant when the tip is placed near the edges of the sample, and current is scattered between the tip and the edge. We point out that, in contrast to SGM experiments on gapped semiconductors, the STM tip can induce a pn junction in graphene, which improves contrast and resolution in SGM. We also discuss possible explanations for spatial asymmetry of experimentally measured resistance maps, and connect it with specific configurations of the measuring probes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000399273800001	Publication Date	2017-03-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	7	Open Access
	Notes	; This work was supported by the Methusalem program of the Flemish government. ;			Approved	Most recent IF: 3.44
	Call Number	UA @ lucian @ c:irua:143639			Serial	4607
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	Author	Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M.
	Title	Single-layer structures of a₁₀₀- and b₀₁₀-Gallenene : a tight-binding approach			Type	A1 Journal article
	Year	2019	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	21	Issue	28	Pages	15798-15804
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the simplified linear combination of atomic orbitals (LCAO) method in combination with ab initio calculations, we construct a tight-binding (TB) model for two different crystal structures of monolayer gallium: a(100)- and b(010)-Gallenene. The analytical expression for the Hamiltonian and numerical results for the overlap matrix elements between different orbitals of the Ga atoms and for the Slater and Koster (SK) integrals are obtained. We find that the compaction of different structures affects significantly the formation of the orbitals. The results for a(100)-Gallenene can be very well explained with an orthogonal basis set, while for b(010)-Gallenene we have to assume a non-orthogonal basis set in order to construct the TB model. Moreover, the transmission properties of nanoribbons of both monolayers oriented along the AC and ZZ directions are also investigated and it is shown that both AC- and ZZ-b(010)-Gallenene nanoribbons exhibit semiconducting behavior with zero transmission while those of a(100)-Gallenene nanoribbons are metallic.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000476603700057	Publication Date	2019-06-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	7	Open Access
	Notes	; This work is supported by the Methusalem program of the Flemish government and the FLAG-ERA project TRANS-2D-TMD. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M. Y.). M. N. is partially supported by BFO (Uantwerpen). ;			Approved	Most recent IF: 4.123
	Call Number	UA @ admin @ c:irua:161881			Serial	5427
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	Author	Zhao, C.X.; Xu, W.; Dong, H.M.; Yu, Y.; Qin, H.; Peeters, F.M.
	Title	Enhancement of plasmon-photon coupling in grating coupled graphene inside a Fabry-Perot cavity			Type	A1 Journal article
	Year	2018	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	280	Issue	280	Pages	45-49
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a theoretical investigation of the plasmon-polariton modes in grating coupled graphene inside a Fabry-Perot cavity. The cavity or photon modes of the device are determined by the Finite Difference Time Domain (FDTD) simulations and the corresponding plasmon-polariton modes are obtained by applying a many-body self-consistent field theory. We find that in such a device structure, the electric field strength of the incident electromagnetic (EM) field can be significantly enhanced near the edges of the grating strips. Thus, the strong coupling between the EM field and the plasmons in graphene can be achieved and the features of the plasmon-polariton oscillations in the structure can be observed. It is found that the frequencies of the plasmon-polariton modes are in the terahertz (THz) bandwidth and depend sensitively on electron density which can be tuned by applying a gate voltage. Moreover, the coupling between the cavity photons and the plasmons in graphene can be further enhanced by increasing the filling factor of the device. This work can help us to gain an in-depth understanding of the THz plasmonic properties of graphene-based structures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000439059600008	Publication Date	2018-06-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	1	Open Access
	Notes	; This work is supported by the National Natural Science Foundation of China (Grand No. 11604192 and Grant No. 11574319); the Center of Science and Technology of Hefei Academy of Science; the Ministry of Science and Technology of China (Grant No. 2011YQ130018); Department of Science and Technology of Yunnan Province; Chinese Academy of Sciences. ;			Approved	Most recent IF: 1.554
	Call Number	UA @ lucian @ c:irua:152369UA @ admin @ c:irua:152369			Serial	5024
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	Author	Croitoru, M.D.; Shanenko, A.A.; Vagov, A.; Vasenko, A.S.; Milošević, M.V.; Axt, V.M.; Peeters, F.M.
	Title	Influence of disorder on superconducting correlations in nanoparticles			Type	A1 Journal article
	Year	2016	Publication	Journal of superconductivity and novel magnetism	Abbreviated Journal	J Supercond Nov Magn
	Volume	29	Issue	29	Pages	605-609
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate how the interplay of quantum confinement and level broadening caused by disorder affects superconducting correlations in ultra-small metallic grains. We use the electron-phonon interaction-induced electron mass renormalization and the reduced static-path approximation of the BCS formalism to calculate the critical temperature as a function of the grain size. We show how the strong electron-impurity scattering additionally smears the peak structure in the electronic density of states of a metallic grain and imposes additional limits on the critical temperature under strong quantum confinement.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000371089500013	Publication Date	2016-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1557-1939	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.18	Times cited	7	Open Access
	Notes	; This work was supported by the Belgian Science Policy (BELSPO Back to Belgium Grant), the Flemish Science Foundation (FWO-Vl), the Methusalem Foundation of the Flemish Government, TOPBOF-UA, and the bilateral project CNPq-FWO-Vl. ;			Approved	Most recent IF: 1.18
	Call Number	UA @ lucian @ c:irua:132286			Serial	4195
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	Author	Milovanovic, S.P.; Peeters, F.M.
	Title	Strained graphene Hall bar			Type	A1 Journal article
	Year	2017	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	29	Issue	29	Pages	075601
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effects of strain, induced by a Gaussian bump, on the magnetic field dependent transport properties of a graphene Hall bar are investigated. The numerical simulations are performed using both classical and quantum mechanical transport theory and we found that both approaches exhibit similar characteristic features. The effects of the Gaussian bump are manifested by a decrease of the bend resistance, RB, around zero-magnetic field and the occurrence of side-peaks in RB. These features are explained as a consequence of bump-assisted scattering of electrons towards different terminals of the Hall bar. Using these features we are able to give an estimate of the size of the bump. Additional oscillations in RB are found in the quantum description that are due to the population/depopulation of Landau levels. The bump has a minor influence on the Hall resistance even for very high values of the pseudo-magnetic field. When the bump is placed outside the center of the Hall bar valley polarized electrons can be collected in the leads.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000391584900001	Publication Date	2016-12-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	12	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:140381			Serial	4464
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	Author	Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M.
	Title	Ab initio study of hydrogenic effective mass impurities in Si nanowires			Type	A1 Journal article
	Year	2017	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	29	Issue	29	Pages	095303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000395103900002	Publication Date	2017-01-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	1	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:142447			Serial	4584
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	Author	Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D.
	Title	In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions			Type	A1 Journal article
	Year	2018	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	29	Issue	29	Pages	295202
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000432823800002	Publication Date	2018-05-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	4	Open Access
	Notes	; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ;			Approved	Most recent IF: 3.44
	Call Number	UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451			Serial	5029
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	Author	Akbali, B.; Yagmurcukardes, M.; Peeters, F.M.; Lin, H.-Y.; Lin, T.-Y.; Chen, W.-H.; Maher, S.; Chen, T.-Y.; Huang, C.-H.
	Title	Determining the molecular orientation on the metal nanoparticle surface through surface-enhanced Raman spectroscopy and density functional theory simulations			Type	A1 Journal article
	Year	2021	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
	Volume	125	Issue	29	Pages	16289-16295
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We report here the efficacy of surface-enhanced Raman spectroscopy (SERS) measurements as a probe for molecular orientation. 4-Aminobenzoic acid (PABA) on a surface consisting of silver (Ag) nanoparticles (NPs) is investigated. We find that the orientation of the PABA molecule on the SERS substrate is estimated based on the relative change in the magnitude of the C-H stretching bands on the SERS substrate, and it is found that the molecule assumes a horizontal orientation on the Ag-NP surface. The strong molecule-metal interaction is determined by an abnormal enhanced SERS band appearing at 980 cm(-1), and the peak is assigned to an out-of-plane amine vibrational mode, which is supported by our ab initio calculations. DFT-based Raman activity calculations corroborate the SERS results, revealing that (i) the PABA molecule attaches to the surface of Ag-NPs with its alpha dimers rather than single-molecule binding and (ii) the molecule preserves its alpha dimers in an aqueous environment. Our results demonstrate that SERS can be used to gain deeper insights into the molecular orientation on metal nanoparticle surfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000680445800055	Publication Date	2021-07-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	2	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.536
	Call Number	UA @ admin @ c:irua:180455			Serial	6978
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	Author	Wang, W.; Li, L.; Kong, X.; Van Duppen, B.; Peeters, F.M.
	Title	T_4,4,4-graphyne : a 2D carbon allotrope with an intrinsic direct bandgap			Type	A1 Journal article
	Year	2019	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	293	Issue	293	Pages	23-27
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A novel two-dimensional (2D) structurally stable carbon allotrope is proposed using first-principles calculations, which is a promising material for water purification and for electronic devices due to its unique porous structure and electronic properties. Rectangular and hexagonal rings are connected with acetylenic linkages, forming a nanoporous structure with a pore size of 6.41 angstrom, which is known as T-4,T-4,T-4-graphyne. This 2D sheet exhibits a direct bandgap of 0.63 eV at the M point, which originates from the p(z)( )atomic orbitals of carbon atoms as confirmed by a tight-binding model. Importantly, T-4,T-4,T-4-graphyne is found to be energetically more preferable than the experimentally realized beta-graphdiyne, it is dynamically stable and can withstand temperatures up to 1500 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000460909600005	Publication Date	2019-02-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	10	Open Access
	Notes	; This work was supported by National Natural Science Foundation of China (Grant Nos. 11404214 and 11455015), the China Scholarship Council (CSC), the Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grant Nos. GJJ180868 and GJJ161062) the Fonds Wetenschappelijk Onderzoek (FWO-V1), and the FLAG-ERA project TRANS2DTMD. BVD was supported by the Research Foundation – Flanders (FWO-V1) through a postdoctoral fellowship. 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. ;			Approved	Most recent IF: 1.554
	Call Number	UA @ admin @ c:irua:158503			Serial	5234
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	Author	Carvalho, J.C.N.; Nelissen, K.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
	Title	Diffusion in a quasi-one-dimensional system on a periodic substrate			Type	A1 Journal article
	Year	2012	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	85	Issue	2:1	Pages	021136-021136,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The diffusion of charged particles interacting through a repulsive Yukawa potential, exp(-r/lambda)/r, confined by a parabolic potential in the y direction and subjected to a periodic substrate potential in the x direction is investigated. Langevin dynamic simulations are used to investigate the effect of the particle density, the amplitude of the periodic substrate, and the range of the interparticle interaction potential on the diffusive behavior of the particles. We found that in general the diffusion is suppressed with increasing the amplitude of the periodic potential, but for specific values of the strength of the substrate potential a remarkable increase of the diffusion is found with increasing the periodic potential amplitude. In addition, we found a strong dependence of the diffusion on the specific arrangement of the particles, e. g., single-chain versus multichain configuration. For certain particle configurations, a reentrant behavior of the diffusion is found as a function of the substrate strength due to structural transitions in the ordering of the particles.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000300671500007	Publication Date	2012-02-24
	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	9	Open Access
	Notes	; This work was supported by the Brazilian agencies CNPq and FUNCAP (PRONEX-Grant), the Flemish Science Foundation (FWO-Vl), and the bilateral projects between Flanders and Brazil and the Flemish Science Foundation (FWO-VI) and CNPq. ;			Approved	Most recent IF: 2.366; 2012 IF: 2.313
	Call Number	UA @ lucian @ c:irua:97203			Serial	698
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	Author	Szafran, B.; Bednarek, S.; Adamowski, J.; Tavernier, M.B.; Anisimovas, E.; Peeters, F.M.
	Title	Accuracy of the Hartree-Fock method for Wigner molecules at high magnetic fields			Type	A1 Journal article
	Year	2004	Publication	European physical journal : D : atomic, molecular and optical physics	Abbreviated Journal	Eur Phys J D
	Volume	28	Issue	3	Pages	373-380
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagoiialization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A comparison of the HF and exact, results allows as to discuss the relevance of the symmetry of the charge density distribution for the accuracy of the HF method. It is shown that the energy estimates obtained with the broken-symmetry HF wave functions become exact in the infinite magnetic-field limit. In this limit the charge density of the broken-symmetry solution call be identified with the classical charge distribution.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000220378400008	Publication Date	2004-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-6060;1434-6079;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.288	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.288; 2004 IF: 1.692
	Call Number	UA @ lucian @ c:irua:103246			Serial	43
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	Author	Vasilopoulos, P.; Kálmán, O.; Peeters, F.M.; Benedict, M.G.
	Title	Aharonov-Bohm oscillations in a mesoscopic ring with asymmetric arm-dependent injection			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	75	Issue	3	Pages	035304,1-7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000243895400086	Publication Date	2007-01-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:63751			Serial	86
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	Author	Shanenko, A.A.; Croitoru, M.D.; Vagov, A.V.; Axt, V.M.; Perali, A.; Peeters, F.M.
	Title	Atypical BCS-BEC crossover induced by quantum-size effects			Type	A1 Journal article
	Year	2012	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	86	Issue	3	Pages	033612
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Quantum-size oscillations of the basic physical characteristics of a confined fermionic condensate are a well-known phenomenon. Its conventional understanding is based on the single-particle physics, whereby the oscillations follow variations in the single-particle density of states driven by the size quantization. Here we present a study of a cigar-shaped ultracold superfluid Fermi gas, which demonstrates an important many-body aspect of the quantum-size coherent effects, overlooked previously. The many-body physics is revealed here in the atypical crossover from the Bardeen-Cooper-Schrieffer (BCS) superfluid to the Bose-Einstein condensate (BEC) induced by the size quantization of the particle motion. The single-particle energy spectrum for the transverse dimensions is tightly bound, whereas for the longitudinal direction it resembles a quasi-free dispersion. This results in the formation of a series of single-particle subbands (shells) so that the aggregate fermionic condensate becomes a coherent mixture of subband condensates. Each time when the lower edge of a subband crosses the chemical potential, the BCS-BEC crossover is approached in this subband, and the aggregate condensate contains both BCS and BEC-like components.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000308639500004	Publication Date	2012-09-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	34	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). The authors thank C. Salomon and C. Vale for their valuable explications of the experimental situation and interest to our work. We are grateful to G. C. Strinati, D. Neilson, and P. Pieri for useful discussions. M. D. C. acknowledges support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). A. P. gratefully acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 4844 for his visit to the University of Antwerp. A. A. S. acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 5200 for his visit to the University of Camerino. ;			Approved	Most recent IF: 2.925; 2012 IF: 3.042
	Call Number	UA @ lucian @ c:irua:101844			Serial	203
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	Author	Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W.
	Title	Dielectric mismatch effect on coupled impurity states in a freestanding nanowire			Type	A1 Journal article
	Year	2009	Publication	Microelectronics journal	Abbreviated Journal	Microelectron J
	Volume	40	Issue	3	Pages	446-448
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Luton	Editor
	Language		Wos	000264694700017	Publication Date	2008-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-2692;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.163	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 1.163; 2009 IF: 0.778
	Call Number	UA @ lucian @ c:irua:76410			Serial	690
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	Author	Schweigert, V.A.; Peeters, F.M.
	Title	Dynamics of a finite classical two-dimensional system			Type	A1 Journal article
	Year	1994	Publication	Superlattices and microstructures	Abbreviated Journal	Superlattice Microst
	Volume	16	Issue	3	Pages	243-247
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The spectral properties of a classical two-dimensional (2D) cluster of charged particles which are confined by a quadratic potential are calculated. Using the method of Newton optimization we obtain the ground state and the metastable states. For a given configuration the eigenvectors and eigenfrequencies for the normal modes are obtained using the Householder diagonalization technique for the dynamical matrix whose elements are the second derivative of the potential energy. For small clusters the lowest excitation corresponds to an intershell rotation. Magic numbers are associated to clusters which are most stable against intershell rotation. For large clusters the lowest excitation is a vortex/anti-vortex pair.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1994QE75400007	Publication Date	2009-07-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0749-6036;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.097	Times cited	4	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:99951			Serial	772
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	Author	Peelaers, H.; Partoens, B.; Tatyanenko, D.V.; Peeters, F.M.
	Title	Dynamics of scattering on a classical two-dimensional artificial atom			Type	A1 Journal article
	Year	2007	Publication	Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics	Abbreviated Journal	Phys Rev E
	Volume	75	Issue	3	Pages	036606,1-8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A classical two-dimensional (2D) model for an artificial atom is used to make a numerical exact study of elastic and nonelastic scattering. Interesting differences in the scattering angle distribution between this model and the well-known Rutherford scattering are found in the small energy and/or small impact parameter scattering regime. For scattering off a classical 2D hydrogen atom different phenomena such as ionization, exchange of particles, and inelastic scattering can occur. A scattering regime diagram is constructed as function of the impact parameter (b) and the initial velocity (v) of the incoming particle. In a small regime of the (b,v) space the system exhibits chaos, which is studied in more detail. Analytic expressions for the scattering angle are given in the high impact parameter asymptotic limit.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000245324700062	Publication Date	2007-03-14
	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	1	Open Access
	Notes				Approved	Most recent IF: 2.366; 2007 IF: 2.483
	Call Number	UA @ lucian @ c:irua:64290			Serial	782
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