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	Author	Çakir, D.; Sevik, C.; Gulseren, O.; Peeters, F.M.
	Title	Mo2C as a high capacity anode material: a first-principles study			Type	A1 Journal article
	Year	2016	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	4	Issue	16	Pages	6029-6035
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000374790700033	Publication Date	2016-03-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	202	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C. S. acknowledges the support from Turkish Academy of Sciences (TUBA-GEBIP). C. S acknowledges the support from Anadolu University (Grant No. 1407F335). We acknowledge the support from TUBITAK, The Scientific and Technological Research Council of Turkey (Grant No. 115F024). ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:144763			Serial	4669
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	Author	Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D.
	Title	MXenes/graphene heterostructures for Li battery applications : a first principles study			Type	A1 Journal article
	Year	2018	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	6	Issue	5	Pages	2337-2345
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000423981200049	Publication Date	2018-01-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	131	Open Access
	Notes	; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the 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 the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265			Serial	4945
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	Author	Mlinar, V.; Peeters, F.M.
	Title	A three-dimensional model for artificial atoms and molecules: influence of substrate orientation and magnetic field dependence			Type	A1 Journal article
	Year	2007	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	17	Issue	35	Pages	3687-3695
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000249080100013	Publication Date	2007-07-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	7	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:66124			Serial	3653
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	Author	Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A.
	Title	Exciton trapping in a hybrid ferromagnetic/semiconductor magnetic antidot			Type	A1 Journal article
	Year	2001	Publication	Journal of magnetism and magnetic materials	Abbreviated Journal	J Magn Magn Mater
	Volume	226/230	Issue		Pages	2038-2039
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000170628400349	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-8853;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.63	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 2.63; 2001 IF: 1.329
	Call Number	UA @ lucian @ c:irua:37314			Serial	1119
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	Author	Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M.
	Title	Ferromagnetism in stacked bilayers of Pd/C₆₀			Type	A1 Journal article
	Year	2014	Publication	Journal of magnetism and magnetic materials	Abbreviated Journal	J Magn Magn Mater
	Volume	349	Issue		Pages	128-134
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000326037600022	Publication Date	2013-08-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-8853;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.63	Times cited	8	Open Access
	Notes	; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ;			Approved	Most recent IF: 2.63; 2014 IF: 1.970
	Call Number	UA @ lucian @ c:irua:112214			Serial	1184
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	Author	Fleurov, V.; Kikoin, K.; Ivanov, V.A.; Krstajic, P.M.; Peeters, F.M.
	Title	Mechanisms of double magnetic exchange in dilute magnetic semiconductors			Type	A1 Journal article
	Year	2004	Publication	Journal of magnetism and magnetic materials T2 – International Conference on Magnetism (ICM 2003), JUL 27-AUG 01, 2003, Rome, ITALY	Abbreviated Journal	J Magn Magn Mater
	Volume	272	Issue	Part 3	Pages	1967-1968
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A microscopic Hamiltonian for interacting manganese impurities in dilute magnetic semiconductors (DMS) is derived. It is shown that in p-type III-V DMS, the indirect exchange between Mn impurities has similarities with the Zener mechanism in transition metal oxides. Here the mobile and localized holes near the top of the valence band play the role of unoccupied p-orbitals which induce ferromagnetism. T-C estimated from the proposed kinematic exchange agrees with experiments on (Ga,Mn)As. The model is also applicable to the p-doped (Ga,Mn)P system. The magnetic ordering in n-type (Ga,Mn)N is due to exchange between the electrons localized on the levels lying deep in the forbidden energy gap. This mechanism is even closer to the original Zener mechanism. (C) 2003 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000222236800142	Publication Date	2004-01-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-8853;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.63	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 2.63; 2004 IF: 1.031
	Call Number	UA @ lucian @ c:irua:103233			Serial	1981
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	Author	Ivanov, V.A.; Krstajic, P.M.; Peeters, F.M.; Fleurov, V.; Kikoin, K.
	Title	On the nature of ferromagnetism in dilute magnetic semiconductors : GaAs:Mn and GaP:Mn			Type	A1 Journal article
	Year	2003	Publication	Journal of magnetism and magnetic materials T2 – 2nd Moscow International Symposium on Magnetism (MISM 2001), JUN 20-24, 2001, MOSCOW STATE UNIV, MOSCOW, RUSSIA	Abbreviated Journal	J Magn Magn Mater
	Volume	258	Issue		Pages	237-240
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	On the basis of a simplified Hamiltonian for transition metal impurities in diluted magnetic semiconductors (DMS), the nature of ferromagnetism in p-type III-V DMS are investigated. Ferromagnetism is governed by the Anderson-Hubbard parameter for 3d electrons of Mn2+ and their strong hybridization with the hole carriers in the semiconducting medium. The origin of ferromagnetism in these materials has similarity with the Zener mechanism. From the energetically preferable parallel orientation of Mn spins the Curie temperature is calculated for GaAs:Mn. (C) 2002 Published by Elsevier Science B.V.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000181702000062	Publication Date	2003-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-8853;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.63	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 2.63; 2003 IF: 0.910
	Call Number	UA @ lucian @ c:irua:103311			Serial	2442
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	Author	Chwiej, T.; Bednarek, S.; Adamowski, J.; Szafran, B.; Peeters, F.M.
	Title	Coulomb-interaction driven anomaly in the Stark effect for an exciton in vertically coupled quantum dots			Type	A1 Journal article
	Year	2005	Publication	Journal of luminescence T2 – 6th International Conference on Excitonic Processes in Condensed Matter, (EXCON 04), JUL 06-09, 2004, Cracow, POLAND	Abbreviated Journal	J Lumin
	Volume	112	Issue	1-4	Pages	122-126
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effect of the electric field on an exciton confined in a pair of vertically coupled quantum dots is studied. We use a single-band approximation and a parabolic model potential. As a result of these idealizations, we obtain a numerically solvable model, which is used to describe the influence of the electron-hole interaction on the Stark effect for the lowest-energy photo luminescence lines. We show that for intermediate tunnel coupling between the dots this interaction leads to an anomalous Stark effect with an essential deviation of the recombination energy from the usual quadratic dependence on the electric field. (c) 2004 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000228439600029	Publication Date	2004-12-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2313;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.686	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 2.686; 2005 IF: 1.518
	Call Number	UA @ lucian @ c:irua:103675			Serial	532
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	Author	Dantas, D.S.; Chaves, A.; Farias, G.A.; Ramos, A.C.A.; Peeters, F.M.
	Title	Low-dimensional confining structures on the surface of helium films suspended on designed cavities			Type	A1 Journal article
	Year	2013	Publication	Journal of low temperature physics	Abbreviated Journal	J Low Temp Phys
	Volume	173	Issue	3-4	Pages	207-226
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the formation of quantum confined structures on the surface of a liquid helium film suspended on a nanostructured substrate. We show theoretically that, by nanostructuring the substrate, it is possible to change the geometry of the liquid helium surface, opening the possibility of designing and controlling the formation of valleys with different shapes. By applying an external electric field perpendicular to the substrate plane, surface electrons can be trapped into these valleys, as in a quantum dot. We investigate how the external parameters, such as the electric field strength and the height of the liquid helium bath, can be tuned to control the energy spectrum of the trapped surface electrons.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000324820300008	Publication Date	2013-08-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2291;1573-7357;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.3	Times cited	1	Open Access
	Notes	; This work has received financial support from the Brazilian National Research Council (CNPq), Fundacao Cearense de Apoio ao Desenvolvimento Cientifico e Tecnologico (Funcap), CAPES and Pronex/CNPq/Funcap. This work was partially supported by the Flemish Science Foundation (FWO-Vl) and the bilateral project between CNPq and FWO-Vl. ;			Approved	Most recent IF: 1.3; 2013 IF: 1.036
	Call Number	UA @ lucian @ c:irua:111140			Serial	1845
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
	Title	The structure and manipulation of vortex states in a superconducting square with 2 × 2 blind holes			Type	A1 Journal article
	Year	2005	Publication	Journal of low temperature physics	Abbreviated Journal	J Low Temp Phys
	Volume	139	Issue	1	Pages	229-238
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000228853900021	Publication Date	2005-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2291;1573-7357;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.3	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 1.3; 2005 IF: 0.753
	Call Number	UA @ lucian @ c:irua:57246			Serial	3284
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	Author	Milošević, M.V.; Peeters, F.M.
	Title	Vortex-antivortex lattices in superconducting films with magnetic pinning arrays			Type	A1 Journal article
	Year	2005	Publication	Journal of low temperature physics	Abbreviated Journal	J Low Temp Phys
	Volume	139	Issue	1	Pages	257-272
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos		Publication Date	2005-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2291;1573-7357;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.3	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 1.3; 2005 IF: 0.753
	Call Number	UA @ lucian @ c:irua:57245			Serial	3853
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	Author	Milošević, M.V.; Yampolskii, S.V.; Peeters, F.M.
	Title	The vortex-magnetic dipole interaction in the London approximation			Type	A1 Journal article
	Year	2003	Publication	Journal of low temperature physics	Abbreviated Journal	J Low Temp Phys
	Volume	130	Issue	3/4	Pages	321-331
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000180742900014	Publication Date	2003-03-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2291;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.3	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.3; 2003 IF: 1.171
	Call Number	UA @ lucian @ c:irua:44987			Serial	3868
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	Author	Milošević, M.V.; Peeters, F.M.
	Title	Vortex matter in the presence of magnetic pinning centra			Type	A1 Journal article
	Year	2003	Publication	Journal of low temperature physics	Abbreviated Journal	J Low Temp Phys
	Volume	130	Issue	3/4	Pages	311-320
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000180742900013	Publication Date	2003-03-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2291;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.3	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.3; 2003 IF: 1.171
	Call Number	UA @ lucian @ c:irua:44988			Serial	3875
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	Author	Slachmuylders, A.; Partoens, B.; Magnus, W.; Peeters, F.M.
	Title	The effect of dielectric mismatch on excitons and trions in cylindrical semiconductor nanowires			Type	A1 Journal article
	Year	2008	Publication	Journal of computational electronics	Abbreviated Journal	J Comput Electron
	Volume		Issue		Pages
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	S.l.	Editor
	Language		Wos	000208473800066	Publication Date	2008-02-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1569-8025;1572-8137;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.526	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 1.526; 2008 IF: NA
	Call Number	UA @ lucian @ c:irua:69620			Serial	808
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	Author	Masir, M.R.; Peeters, F.M.
	Title	Scattering of Dirac electrons by a random array of magnetic flux tubes			Type	A1 Journal article
	Year	2013	Publication	Journal of computational electronics	Abbreviated Journal	J Comput Electron
	Volume	12	Issue	2	Pages	115-122
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	S.l.	Editor
	Language		Wos	000320044900007	Publication Date	2013-02-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1569-8025;1572-8137;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.526	Times cited	2	Open Access
	Notes	; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ;			Approved	Most recent IF: 1.526; 2013 IF: 1.372
	Call Number	UA @ lucian @ c:irua:109615			Serial	2950
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	Author	Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
	Title	Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy			Type	A1 Journal article
	Year	2014	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	140	Issue	7	Pages	074304-74309
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000332039900020	Publication Date	2014-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;1089-7690;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	30	Open Access
	Notes	; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ;			Approved	Most recent IF: 2.965; 2014 IF: 2.952
	Call Number	UA @ lucian @ c:irua:115857			Serial	1002
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	Author	Euan-Diaz, E.; Herrera-Velarde, S.; Misko, V.R.; Peeters, F.M.; Castaneda-Priego, R.
	Title	Structural transitions and long-time self-diffusion of interacting colloids confined by a parabolic potential			Type	A1 Journal article
	Year	2015	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	142	Issue	142	Pages	024902
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report on the ordering and dynamics of interacting colloidal particles confined by a parabolic potential. By means of Brownian dynamics simulations, we find that by varying the magnitude of the trap stiffness, it is possible to control the dimension of the system and, thus, explore both the structural transitions and the long-time self-diffusion coefficient as a function of the degree of confinement. We particularly study the structural ordering in the directions perpendicular and parallel to the confinement. Further analysis of the local distribution of the first-neighbors layer allows us to identify the different structural phases induced by the parabolic potential. These results are summarized in a structural state diagram that describes the way in which the colloidal suspension undergoes a structural re-ordering while increasing the confinement. To fully understand the particle dynamics, we take into account hydrodynamic interactions between colloids; the parabolic potential constricts the available space for the colloids, but it does not act on the solvent. Our findings show a non-linear behavior of the long-time self-diffusion coefficient that is associated to the structural transitions induced by the external field. (C) 2015 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000348129700053	Publication Date	2015-01-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;1089-7690;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	7	Open Access
	Notes	; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), PIFI 3.4 – PROMEP, and CONACyT (Grant Nos. 61418/2007, 102339/2008, Ph.D. scholarship 230171/2010). R.C.-P. also acknowledges financial support provided by the Marcos Moshinsky fellowship 2013-2014. The authors also thank to the General Coordination of Information and Communications Technologies (CGSTIC) at Cinvestav for providing HPC resources on the Hybrid Cluster Super-computer Xiuhcoatl, which have contributed partially to the research results reported in this paper. ;			Approved	Most recent IF: 2.965; 2015 IF: 2.952
	Call Number	c:irua:123832			Serial	3267
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	Author	Kandemir, A.; Peeters, F.M.; Sahin, H.
	Title	Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via spectrum			Type	A1 Journal article
	Year	2018	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	149	Issue	8	Pages	084707
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants). Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000444035800044	Publication Date	2018-08-30
	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	11	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from TUBITAK under Project No. 117F095. F.M.P. was supported by the FLAG-ERA-TRANS<INF>2D</INF>TMD. ;			Approved	Most recent IF: 2.965
	Call Number	UA @ lucian @ c:irua:153711UA @ admin @ c:irua:153711			Serial	5115
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	Author	Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H.
	Title	Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I)			Type	A1 Journal article
	Year	2020	Publication	Journal Of Chemical Physics	Abbreviated Journal	J Chem Phys
	Volume	152	Issue	16	Pages	164116-164118
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000531819100001	Publication Date	2020-04-29
	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	4.4	Times cited	14	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 4.4; 2020 IF: 2.965
	Call Number	UA @ admin @ c:irua:169543			Serial	6615
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	Author	Hamid, I.; Jalali, H.; Peeters, F.M.; Neek-Amal, M.
	Title	Abnormal in-plane permittivity and ferroelectricity of confined water : from sub-nanometer channels to bulk			Type	A1 Journal article
	Year	2021	Publication	Journal Of Chemical Physics	Abbreviated Journal	J Chem Phys
	Volume	154	Issue	11	Pages	114503
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Dielectric properties of nano-confined water are important in several areas of science, i.e., it is relevant in the dielectric double layer that exists in practically all heterogeneous fluid-based systems. Molecular dynamics simulations are used to predict the in-plane dielectric properties of confined water in planar channels of width ranging from sub-nanometer to bulk. Because of suppressed rotational degrees of freedom near the confining walls, the dipole of the water molecules tends to be aligned parallel to the walls, which results in a strongly enhanced in-plane dielectric constant (epsilon (parallel to)) reaching values of about 120 for channels with height 8 angstrom < h < 10 angstrom. With the increase in the width of the channel, we predict that epsilon (parallel to) decreases nonlinearly and reaches the bulk value for h > 70 angstrom. A stratified continuum model is proposed that reproduces the h > 10 angstrom dependence of epsilon (parallel to). For sub-nanometer height channels, abnormal behavior of epsilon (parallel to) is found with two orders of magnitude reduction of epsilon (parallel to) around h similar to 7.5 angstrom, which is attributed to the formation of a particular ice phase that exhibits long-time (similar to mu s) stable ferroelectricity. This is of particular importance for the understanding of the influence of confined water on the functioning of biological systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000629831900001	Publication Date	2021-03-17
	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	13	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 2.965
	Call Number	UA @ admin @ c:irua:177579			Serial	6967
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	Author	Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M.
	Title	Artificial molecular quantum rings under magnetic field influence			Type	A1 Journal article
	Year	2009	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	106	Issue	7	Pages	073702,1-073702,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The ground states of a few electrons confined in two vertically coupled quantum rings in the presence of an external magnetic field are studied systematically within the current spin-density functional theory. Electron-electron interactions combined with inter-ring tunneling affect the electronic structure and the persistent current. For small values of the external magnetic field, we recover the zero magnetic field molecular quantum ring ground state configurations. Increasing the magnetic field many angular momentum, spin, and isospin transitions are predicted to occur in the ground state. We show that these transitions follow certain rules, which are governed by the parity of the number of electrons, the single-particle picture, Hunds rules, and many-body effects.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000270915600047	Publication Date	2009-10-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 2.068; 2009 IF: 2.072
	Call Number	UA @ lucian @ c:irua:86926			Serial	155
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	Author	Chang, K.; Peeters, F.M.
	Title	Asymmetric stark shifts in InGaAs/GaAs near-surface quantum wells: the image charge effect			Type	A1 Journal article
	Year	2000	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	88	Issue		Pages	5246-5251
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000089813800048	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 2.068; 2000 IF: 2.180
	Call Number	UA @ lucian @ c:irua:34355			Serial	159
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	Author	Milovanovic, S.P.; Masir, M.R.; Peeters, F.M.
	Title	Bilayer graphene Hall bar with a pn-junction			Type	A1 Journal article
	Year	2013	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	114	Issue	11	Pages	113706
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the magnetic field dependence of the Hall and the bend resistances for a ballistic Hall bar structure containing a pn-junction sculptured from a bilayer of graphene. The electric response is obtained using the billiard model, and we investigate the cases of bilayer graphene with and without a band gap. Two different conduction regimes are possible: (i) both sides of the junction have the same carrier type and (ii) one side of the junction is n-type while the other one is p-type. The first case shows Hall plateau-like features in the Hall resistance that fade away as the band gap opens. The second case exhibits a bend resistance that is asymmetric in magnetic field as a consequence of snake states along the pn-interface, where the maximum is shifted away from zero magnetic field.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000324827200031	Publication Date	2013-09-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	3	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government.			Approved	Most recent IF: 2.068; 2013 IF: 2.185
	Call Number	UA @ lucian @ c:irua:111169			Serial	234
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	Author	Berdiyorov, G.; Harrabi, K.; Mehmood, U.; Peeters, F.M.; Tabet, N.; Zhang, J.; Hussein, I.A.; McLachlan, M.A.
	Title	Derivatization and diffusive motion of molecular fullerenes : ab initio and atomistic simulations			Type	A1 Journal article
	Year	2015	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	118	Issue	118	Pages	025101
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C-60 fullerene. As a typical example, we consider [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect on the electronic transport properties of the fullerene molecular junctions. Both C-60 and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C-60 is an order of magnitude larger than the one for PCBM. (c) 2015 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000357961000036	Publication Date	2015-07-10
	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	2	Open Access
	Notes	; K.H., U.M. and I.A.H. would like to thank the National Science, Technology and Innovation Program of KACST for funding this research under Project No. 12-ENE2379-04. They also acknowledge support from KFUPM and Research Institute. ;			Approved	Most recent IF: 2.068; 2015 IF: 2.183
	Call Number	c:irua:127098			Serial	652
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	Author	Reijniers, J.; Peeters, F.M.
	Title	Diffusive transport in the hybrid Hall effect device			Type	A1 Journal article
	Year	2000	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	87	Issue		Pages	8088-8092
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000087067400075	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 2.068; 2000 IF: 2.180
	Call Number	UA @ lucian @ c:irua:28516			Serial	703
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	Author	Milovanovic, S.P.; Masir, M.R.; Peeters, F.M.
	Title	Graphene hall bar with an asymmetric pn-junction			Type	A1 Journal article
	Year	2013	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	113	Issue	19	Pages	193701-193708
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigated the magnetic field dependence of the Hall and the bend resistances in the ballistic regime for a single layer graphene Hall bar structure containing a pn-junction. When both regions are n-type the Hall resistance dominates and Hall type of plateaus are formed. These plateaus occur as a consequence of the restriction on the angle imposed by Snell's law allowing only electrons with a certain initial angles to transmit though the potential step. The size of the plateau and its position is determined by the position of the potential interface as well as the value of the applied potential. When the second region is p-type, the bend resistance dominates, which is asymmetric in field due to the presence of snake states. Changing the position of the pn-interface in the Hall bar strongly affects these states and therefore the bend resistance is also changed. Changing the applied potential, we observe that the bend resistance exhibits a peak around the charge-neutrality point (CNP), which is independent of the position of the pn-interface, while the Hall resistance shows a sign reversal when the CNP is crossed, which is in very good agreement with a recent experiment [J. R. Williams and C. M. Marcus, Phys. Rev. Lett. 107, 046602 (2011)].
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000319295200022	Publication Date	2013-05-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	7	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. We acknowledge fruitful discussions with M. Barbier.			Approved	Most recent IF: 2.068; 2013 IF: 2.185
	Call Number	UA @ lucian @ c:irua:108999			Serial	1371
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	Author	Dong, H.M.; Xu, W.; Peeters, F.M.
	Title	High-field transport properties of graphene			Type	A1 Journal article
	Year	2011	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	110	Issue	6	Pages	063704,1-063704,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a theoretical investigation on the transport properties of graphene in the presence of high dc driving fields. Considering electron interactions with impurities and acoustic and optical phonons in graphene, we employ the momentum- and energy-balance equations derived from the Boltzmann equation to self-consistently evaluate the drift velocity and temperature of electrons in graphene in the linear and nonlinear response regimes. We find that the current-voltage relation exhibits distinctly nonlinear behavior, especially in the high electric field regime. Under the action of high-fields the large source-drain (sd) current density can be achieved and the current saturation in graphene is incomplete with increasing the sd voltage Vsd up to 3 V. Moreover, for high fields, Vsd>0.1 V, the heating of electrons in graphene occurs. It is shown that the sd current and electron temperature are sensitive to electron density and lattice temperature in the graphene device. This study is relevant to the application of graphene as high-field nano-electronic devices such as graphene field-effect transistors.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295619300059	Publication Date	2011-09-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	17	Open Access
	Notes	; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206) and the Department of Science and Technology of Yunnan Province. ;			Approved	Most recent IF: 2.068; 2011 IF: 2.168
	Call Number	UA @ lucian @ c:irua:93614			Serial	1433
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	Author	Milovanović, S.P.; Moldovan, D.; Peeters, F.M.
	Title	Veselago lensing in graphene with a p-n junction: Classical versus quantum effects			Type	A1 Journal article
	Year	2015	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	118	Issue	118	Pages	154308
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The feasibility of Veselago lensing in graphene with a p-n junction is investigated numerically for realistic injection leads. Two different set-ups with two narrow leads are considered with absorbing or reflecting side edges. This allows us to separately determine the influence of scattering on electron focusing for the edges and the p-n interface. Both semiclassical and tight-binding simulations show a distinctive peak in the transmission probability that is attributed to the Veselago lensing effect. We investigate the robustness of this peak on the width of the injector, the position of the p-n interface, and different gate potential profiles. Furthermore, the influence of scattering by both short- and long-range impurities is considered.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000363535800022	Publication Date	2015-10-20
	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	19	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government.			Approved	Most recent IF: 2.068; 2015 IF: 2.183
	Call Number	c:irua:129452			Serial	3969
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	Author	Hai, G.-Q.; Studart, N.; Peeters, F.M.; Koenraad, P.M.; Wolter, J.H.
	Title	Intersubband-coupling and screening effects on the electron transport in a quasi-two-dimensional δ-doped semiconductor system			Type	A1 Journal article
	Year	1996	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	80	Issue		Pages	5809-5814
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effects due to intersubband coupling and screening on the ionized impurity scattering are studied for a quasi-two-dimensional electron system in delta-doped semiconductors. We found that intersubband coupling plays an essential role in describing the screening properties and the effect of ionized impurity scattering on the mobility in a multisubband system. At the onset of the occupation of a higher subband, the screening due to the intersubband coupling leads to a reduction of the small angle scattering rate in the lower subband. We showed that such an effect is significant in a delta-doped quantum well and results in a pronounced increase of the quantum mobility at the onset of the occupation of a higher subband. (C) 1996 American Institute of Physics.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	A1996VU98700039	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.183	Times cited	40	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:15789			Serial	1712
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	Author	Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
	Title	Magnetic electron focusing and tuning of the electron current with a pn-junction			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	4	Pages	043719-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Transverse magnetic focusing properties of graphene using a ballistic four terminal structure are investigated. The electric response is obtained using the semiclassical billiard model. The transmission exhibits pronounced peaks as a consequence of skipping orbits at the edge of the structure. When we add a pn-junction between the two probes, snake states along the pn-interface appear. Injected electrons are guided by the pn-interface to one of the leads depending on the value of the applied magnetic field. Oscillations in the resistance are found depending on the amount of particles that end up in each lead.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000331210800066	Publication Date	2014-01-30
	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	21	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government.			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:115801			Serial	1866
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