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	Author	Li, Z.Z.; Raffy, H.; Bals, S.; Van Tendeloo, G.; Megtert, S.
	Title	Interplay of doping and structural modulation in superconducting Bi₂Sr_2-xLa_xCuO_6+\delta thin films			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	71	Issue	17	Pages	174503,1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We have studied the evolution of the structural modulation in epitaxial, c-axis-oriented, Bi2Sr2-xLaCuO6+delta thin films when varying the La content x and for a given x as a function of oxygen content. A series of thin films with 0 <= x <= 0.8 has been prepared in situ by rf-magnetron sputtering and characterized by R(T) measurements, Rutherford backscattering spectroscopy, transmission electron microscopy, and x-ray diffraction techniques. The oxygen content of each individual film was varied by thermal annealing across the phase diagram. The evolution of the structural modulation has been thoroughly studied by x-ray diffraction in determining the variation of the amplitude of satellite reflections in special two axes 2 theta/theta-theta scans (reciprocal space scans). It is shown that the amplitude of the modulation along the c axis decreases strongly when x increases from 0 to 0.2. It is demonstrated that this variation is essentially governed by La content x and that changing the oxygen content by thermal treatments has a much lower influence, even becoming negligible for x > 0.2. Such study is important to understand the electronical properties of Bi2Sr2-xLaxCuO6+gamma thin films.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000229935000092	Publication Date	2005-05-06
	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	11	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ lucian @ c:irua:54746			Serial	1707
Permanent link to this record



	Author	Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
	Title	One-dimensional bipolaron in the strong coupling limit			Type	A1 Journal article
	Year	1994	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	50	Issue	17	Pages	12524-12532
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1994PR26100027	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	15	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:9277			Serial	2461
Permanent link to this record



	Author	Krstajić, P.M.; Keller, M.; Peeters, F.M.
	Title	Spin-torque effects in metallic magnetic multilayers in the ballistic regime			Type	A1 Journal article
	Year	2008	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	77	Issue	17	Pages	174428,1-7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000256763800082	Publication Date	2008-05-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 3.836; 2008 IF: 3.322
	Call Number	UA @ lucian @ c:irua:69635			Serial	3101
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	Author	Vodolazov, D.Y.; Peeters, F.M.
	Title	Superconducting rectifier based on the asymmetric surface barrier effect			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	72	Issue	17	Pages	172508,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000233603500030	Publication Date	2005-11-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	32	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ lucian @ c:irua:56049			Serial	3365
Permanent link to this record



	Author	Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M.
	Title	Thermomechanical properties of graphene : valence force field model approach			Type	A1 Journal article
	Year	2012	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	24	Issue	17	Pages	175303-175303,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000303499700012	Publication Date	2012-04-05
	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	29	Open Access
	Notes	; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ;			Approved	Most recent IF: 2.649; 2012 IF: 2.355
	Call Number	UA @ lucian @ c:irua:99123			Serial	3639
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
	Title	Vortex configurations and critical parameters in superconducting thin films containing antidot arrays: nonlinear Ginzburg-Landau theory			Type	A1 Journal article
	Year	2006	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	74	Issue	17	Pages	Artn 174512
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000242409000118	Publication Date	2006-11-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	97	Open Access
	Notes				Approved	Most recent IF: 3.836; 2006 IF: 3.107
	Call Number	UA @ lucian @ c:irua:61927			Serial	3862
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	Author	Mei, H.; Xu, W.; Wang, C.; Yuan, H.; Zhang, C.; Ding, L.; Zhang, J.; Deng, C.; Wang, Y.; Peeters, F.M.
	Title	Terahertz magneto-optical properties of bi- and tri-layer graphene			Type	A1 Journal article
	Year	2018	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	30	Issue	17	Pages	175701
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Magneto-optical (MO) properties of bi- and tri-layer graphene are investigated utilizing terahertz time-domain spectroscopy (THz TDS) in the presence of a strong magnetic field at room-temperature. In the Faraday configuration and applying optical polarization measurements, we measure the real and imaginary parts of the longitudinal and transverse MO conductivities of different graphene samples. The obtained experimental data fits very well with the classical MO Drude formula. Thus, we are able to obtain the key sample and material parameters of bi- and tri-layer graphene, such as the electron effective mass, the electronic relaxation time and the electron density. It is found that in high magnetic fields the electronic relaxation time tau for bi- and tri-layer graphene increases with magnetic field B roughly in a form tau similar to B-2. Most importantly, we obtain the electron effective mass for bi- and tri-layer graphene at room-temperature under non-resonant conditions. This work shows how the advanced THz MO techniques can be applied for the investigation into fundamental physics properties of atomically thin 2D electronic systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000429329500001	Publication Date	2018-03-20
	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	11	Open Access
	Notes	; This work was supported by the National Natural Science Foundation of China (11574319, 11304317, 11304272), the Ministry of Science and Technology of China (2011YQ130018), the Center of Science and Technology of Hefei Academy of Science, the Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:150715UA @ admin @ c:irua:150715			Serial	4983
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	Author	Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C.
	Title	Self-assembled vortex crystals induced by inhomogeneous magnetic textures			Type	A1 Journal article
	Year	2019	Publication	Journal of physics : condensed matter	Abbreviated Journal
	Volume	31	Issue	17	Pages	175402
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2019-01-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:191094			Serial	8511
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	Author	Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J.
	Title	A counterion-catalyzed (S⁰H⁺)(X^-I⁺) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions			Type	A1 Journal article
	Year	2003	Publication	The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical	Abbreviated Journal	J Phys Chem B
	Volume	107	Issue	16	Pages	3690-3696
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	An alternative pathway to assemble mesoporous molecular sieve silicas is developed using nonionic alkylamines and N,N-dimethylalkylamines (SO) as structure-directing agents in acidic conditions. The synthesized mesostructures possess wormhole-like frameworks with pore sizes and pore volumes in the range of 20-90 Angstrom and 0.5-1.3 cm(3)/g, respectively. The formation of the mesophase is controlled by a counterion-mediated mechanism of the type (S(0)H(+))(X(-)I(+)), where S(0)H(+) are protonated water molecules that are hydrogen bonded to the lone electron pairs on the amine surfactant headgroups (S(0)H(+)), X(-) is the counteranion originating from the acid, and I(+) are the positively charged (protonated) silicate species. We found that the stronger the ion X(-) is bonded to S(0)H(+), the more it catalyzes the silica condensation into (S(0)H(+))(X(-)I(+)). Br(-) is shown to be a strong binding anion and therefore a fast silica polymerization promoter compared to Cl(-) resulting in the formation of a higher quality mesophase for the Br(-) syntheses. We also showed that the polymerization rate of the silica, dictated by the counterion, controls the morphology of the mesostructures from nonuniform agglomerated blocks in the case of Br(-) syntheses to spherical particles for the Cl(-) syntheses. Next to many benefits such as low temperature, short synthesis time, and the use of inexpensive, nontoxic, and easily extractable amine templates, the developed materials have a remarkable higher thermal and hydrothermal stability compared to hexagonal mesoporous silica, which is also prepared with nonionic amines but formed through the S(0)I(0) mechanism.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000182350200005	Publication Date	2003-04-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1520-6106;1520-5207;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.177	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 3.177; 2003 IF: 3.679
	Call Number	UA @ lucian @ c:irua:103300			Serial	24
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	Author	Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M.
	Title	Anomalous Raman spectra and thickness-dependent electronic properties of WSe₂			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	87	Issue	16	Pages	165409-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000317195400007	Publication Date	2013-04-05
	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	365	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:108471			Serial	134
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	Author	Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	16	Pages	165207
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000310131300008	Publication Date	2012-10-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	7	Open Access
	Notes	Iwt; Fwo; Bof-Noi			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:101780			Serial	202
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	Author	Baumgartner, A.; Ihn, T.; Ensslin, K.; Papp, G.; Peeters, F.; Maranowski, K.; Gossard, A.C.;
	Title	Classical hall effect in scanning gate experiments			Type	A1 Journal article
	Year	2006	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	74	Issue	16	Pages	7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000241723700112	Publication Date	2006-10-31
	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	20	Open Access
	Notes				Approved	Most recent IF: 3.836; 2006 IF: 3.107
	Call Number	UA @ lucian @ c:irua:61360			Serial	366
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	Author	Tadić, M.; Peeters, F.M.; Janssens, K.L.
	Title	Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In_0.49Ga_0.51P self-assembled quantum dots			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	65	Issue	16	Pages	165333-13
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000175325000097	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	72	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:103361			Serial	819
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	Author	Shakouri, K.; Szafran, B.; Esmaeilzadeh, M.; Peeters, F.M.
	Title	Effective spin-orbit interaction Hamiltonian for quasi-one-dimensional quantum rings			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	16	Pages	165314-165314,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effective Hamiltonian for an electron in a quasi-one-dimensional quantum ring in the presence of spin-orbit interactions is derived. We demonstrate that, when both coupling types are simultaneously present, the effective Hamiltonian derived by the lowest-radial-state approximation produces energy spectra and charge densities which deviate strongly from the exact ones. For equal Rashba and Dresselhaus coupling constants the lowest-radial-state approximation opens artifactal avoided crossings in the energy spectra and deforms the circular symmetry of the confined charge densities. In this case, there does not exist a ring thin enough to justify the restriction to the lowest radially quantized energy state. We derive the effective Hamiltonian accounting for both the lowest and the first excited radial states, and show that the inclusion of the latter restores the correct features of the exact solution. Relation of this result to the states of a quantum wire is also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000303068800006	Publication Date	2012-04-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	32	Open Access
	Notes	; This work was partially supported by Polish Ministry of Science and Higher Education and its grants for Scientific Research. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:98258			Serial	855
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	Author	Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M.
	Title	Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	16	Pages	165412-165412,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000282569500011	Publication Date	2010-10-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	46	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (FW/08/01). A. D. H. acknowledges also support from ANPCyT (under Grant No. PICT2008-2236) ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:85030			Serial	996
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	Author	Kishore, V.V.R.; Partoens, B.; Peeters, F.M.
	Title	Electronic structure of InAs/GaSb core-shell nanowires			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	16	Pages	165439-7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic and optical properties of InAs/GaSb core-shell nanowires are investigated within the effective mass k . p approach. These systems have a broken band gap, which results in spatially separated confinement of electrons and holes. We investigated these structures for different sizes of the InAs and GaSb core and shell radius. We found that for certain configurations, the conduction band states penetrate into the valence band states resulting in a negative band gap (E-g < 0), which leads to a conduction band ground state that lies below the valence band ground state at the Gamma point. For certain core-shell wires, only one conduction band state penetrates into the valence band and in this case, a minigap Delta opens up away from the Gamma point and as a consequence the electronic properties of the nanowire now depend on both E-g and Delta values.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000310131400005	Publication Date	2012-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	26	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:102164			Serial	1014
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	Author	Krstajie, P.M.; Peeters, F.M.
	Title	Energy-momentum dispersion relation of plasmarons in bilayer graphene			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	88	Issue	16	Pages	165420-165424
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000326089400004	Publication Date	2013-10-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	3	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:112224			Serial	1042
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	Author	Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
	Title	Exciton states in cylindrical nanowires			Type	A1 Journal article
	Year	2006	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	18	Issue	16	Pages	3951-3966
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000237749000013	Publication Date	2006-04-04
	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	27	Open Access
	Notes				Approved	Most recent IF: 2.649; 2006 IF: 2.038
	Call Number	UA @ lucian @ c:irua:59473			Serial	1118
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	Author	Gensterblum, G.; Hevesi, K.; Han, B.Y.; Yu, L.M.; Pireaux, J.J.; Thiry, P.A.; Caudano, R.; Lucas, A.A.; Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; Bendele, G.; Buslaps, T.; Johnson, R.L.; Foss, M.; Feidenhans’l, R.; Le Lay, G.;
	Title	Growth mode and electronic-structure of the epitaxial C₆₀(111)/GeS(001) interface			Type	A1 Journal article
	Year	1994	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	50	Issue	16	Pages	11981-11995
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1994PR43400080	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	81	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:99825			Serial	1393
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	Author	van der Burgt, M.; Karavolas, V.C.; Peeters, F.M.; Singleton, J.; Nicholas, R.J.; Herlach, F.; Harris, J.J.; Van Hove, M.; Borghs, G.
	Title	Magnetotransport in a pseudomorphic GaAs/Ga_0.8In_0.2As/Ga_0.75Al_0.25As heterostructure with a Si \delta-doping layer			Type	A1 Journal article
	Year	1995	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	52	Issue	16	Pages	12218-12231
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Magnetotransport properties of a pseudomorphic GsAs/Ga0.8In0.2As/Ga0.75Al0.25As heterostructure are investigated in pulsed magnetic fields up to 50 T and at temperatures of T = 1.4 and 4.2 K. The structure studied consists of a Si delta layer parallel to a Ga0.8In0.2As quantum well (QW). The dark electron density of the structure is n(c) = 1.67 x 10(16) m(-2). By illumination the density can be increased up to a factor of 4; this way the second subband in the Ga0.08In0.2As QW can become populated as well as the Si delta layer. The presence of electrons in the delta layer results in drastic changes in the transport data, especially at magnetic fields beyond 30 T. The phenomena observed are interpreted as (i) magnetic freeze-out of carriers in the delta layer when a low density of electrons is present in the delta layer, and (ii) quantization of the electron motion in the two-dimensional electron gases in both the Ga0.8In0.2As QW and the Si delta layer in the case of high densities. These conclusions are corroborated by the numerical results of our theoretical model. We obtain satisfactory agreement between model and experiment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1995TB96600102	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	43	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:99708			Serial	1933
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	Author	Lobato, I.; Partoens, B.
	Title	Multiple Dirac particles in AA-stacked graphite and multilayers of graphene			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	16	Pages	165429-165429,9
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding formalism we show that in the recently experimentally realized AA-stacked graphite in essence two types of massless relativistic Dirac particles are present with a different effective speed of light. We also investigate how the electronic structure evolves from a single graphene sheet into AA-stacked graphite. It is shown that in contrast to AB-stacked graphene layers, the spectrum of AA-stacked graphene layers can be considered as a superposition of single-layer spectra and only particles with a linear spectrum at the Fermi energy around the K point are present. From the evolution of the band overlap we show that 6 multilayers of AA-stacked graphene already behave as AA-stacked graphite. The evolution of the effective speeds of light of the Dirac particles to their bulk values shows exactly the same behavior. The tight-binding parameters we use to describe AA-stacked graphite and multilayers of graphene are obtained by ab initio calculations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000290113900005	Publication Date	2011-04-21
	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	68	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:89717			Serial	2225
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	Author	Verberck, B.; Nikolaev, A.V.; Michel, K.H.
	Title	Orientational charge density waves and the metal-insulator transition in polymerized KC₆₀			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	71	Issue	16	Pages	165117-11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000228763100035	Publication Date	2005-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ lucian @ c:irua:104076			Serial	2514
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	Author	Hai, G.Q.; Peeters, F.M.; Devreese, J.T.
	Title	Polaron-cyclotron-resonance spectrum resulting from interface- and slab-phonon modes in a GaAs/AlAs quantum well			Type	A1 Journal article
	Year	1993	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	47	Issue	16	Pages	10358-10374
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract	The effects of interface optical-phonon and confined slab LO-phonon modes on the polaron cyclotron-resonance frequency are investigated for a GaAs/AlAs quantum well. Using degenerate second-order perturbation theory, the polaron Landau levels are calculated and the polaron resonant region is investigated. In order to know the relative importance of the different resonant frequencies we present a full calculation of the magneto-optical absorption spectrum. At a fixed magnetic field we found four different peaks in the absorption spectrum. The relative oscillator strength of the different peaks changes with increasing magnetic field. For comparative purposes, the polaron Landau levels and cyclotron mass are also calculated using only the bulk LO-phonon modes. The influence of the finiteness of the confinement potential is investigated. We found that the interface-phonon modes influence the magnetopolaron resonance considerably near the optical-phonon frequencies for narrow wells. In the limit of zero magnetic field we recover our previous results and in the case of an infinite-barrier quantum well we are able to recover the results for a two- and three-dimensional system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1993LA29800034	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	69	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:5739			Serial	2663
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	Author	Hai, G.Q.; Peeters, F.M.; Devreese, J.T.; Wendler, L.
	Title	Screening of the electron-phonon interaction in quasi-one-dimensional semiconductor structures			Type	A1 Journal article
	Year	1993	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	48	Issue	16	Pages	12016-12022
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1993ME60100059	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	41	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
	Call Number	UA @ lucian @ c:irua:5751			Serial	2955
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	Author	Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A.
	Title	Size effects and strain state of Ga_1-xIn_xAs/GaAs multiple quantum wells: Monte Carlo study			Type	A1 Journal article
	Year	2008	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	78	Issue	16	Pages	165326,1-165326,7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The effect of the size of the GaAs barrier and the Ga1−xInxAs well on the structural properties of a Ga1−xInxAs/GaAs multiple quantum well structure is investigated using the Metropolis Monte Carlo approach based on a well-parametrized Tersoff potential. It is found that within the well the Ga-As and In-As bond lengths undergo contractions whose magnitude increases with increasing In content in sharp contrast with bond-length variations in the bulk Ga1−xInxAs systems. For fixed barrier size and In content, the contraction of the bonds is also found to increase with increasing size of the well. Using the local atomic structure of the heterostructures, a more local analysis of the strain state of the systems is given and comparison with the prediction of macroscopic continuum elasticity theory shows deviations from the latter.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000260574500084	Publication Date	2008-10-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 3.836; 2008 IF: 3.322
	Call Number	UA @ lucian @ c:irua:72920			Serial	3036
Permanent link to this record



	Author	Wang, X.F.; Vasilopoulos, P.; Peeters, F.M.
	Title	Spin-current modulation and square-wave transmission through periodically stubbed electron waveguides			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	65	Issue	16	Pages	165217
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ballistic spin transport through waveguides, with symmetric or asymmetric double stubs attached to them periodically, is studied systematically in the presence of a weak spin-orbit coupling that makes the electrons precess. By an appropriate choice of the waveguide length and of the stub parameters injected spin-polarized electrons can be blocked completely and the transmission shows a periodic and nearly-square-type behavior, with values 1 and 0, with wide gaps when only one mode is allowed to propagate in the waveguide. A similar behavior is possible for a certain range of the stub parameters even when two modes can propagate in the waveguide and the conductance is doubled. Such a structure is a good candidate for establishing a realistic spin transistor. A further modulation of the spin current can be achieved by inserting defects in a finite-number stub superlattice. Finite-temperature effects on the spin conductance are also considered.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000175325000061	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	112	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:95128			Serial	3082
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	Author	Kukhlevsky, S.V.; Mechler, M.; Csapó, L.; Janssens, K.; Samek, O.
	Title	Resonant backward scattering of light by a subwavelength metallic slit with two open sides			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	72	Issue	16	Pages	165421,1-165421,7
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The backward scattering of TM-polarized light by a two-side-open subwavelength slit in a metal film is analyzed. We show that the reflection coefficient versus wavelength possesses a Fabry-Perot-like dependence that is similar to the anomalous behavior of transmission reported in the study [Y. Takakura, Phys. Rev. Lett. 86, 5601 (2001)]. The open slit totally reflects the light at the near-to-resonance wavelengths. In addition, we show that the interference of incident and resonantly backward-scattered light produces in the near-field diffraction zone a spatially localized wave whose intensity is 10103 times greater than the incident wave, but one order of magnitude smaller than the intracavity intensity. The amplitude and phase of the resonant wave at the slit entrance and exit are different from that of a Fabry-Perot cavity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000232934900123	Publication Date	2005-10-21
	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	7	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ admin @ c:irua:71385			Serial	5815
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	Author	Chang, K.; Peeters, F.M.
	Title	Bright to dark exciton transition in symmetric coupled quantum wells			Type	A1 Journal article
	Year	2001	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	63	Issue	15	Pages
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The energy dispersion of an exciton in a coupled quantum well is modified by an external in-plane magnetic field. We find that the in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center-of-mass (CM) momentum to a finite CM momentum, and render the ground state of the magnetoexciton stable against radiative recombination due to momentum conservation. At the same time, a spatial separation of the electron and hole is realized. Thus an in-plane magnetic field can be used to tailor the radiative properties of excitons in coupled quantum wells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000168215400013	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	42	Open Access
	Notes				Approved	Most recent IF: 3.836; 2001 IF: NA
	Call Number	UA @ lucian @ c:irua:37292			Serial	256
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	Author	Backes, W.H.; Peeters, F.M.; Brosens, F.; Devreese, J.T.
	Title	Dispersion of longitudinal plasmons for a quasi-two-dimensional electron gas			Type	A1 Journal article
	Year	1992	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	45	Issue	15	Pages	8437-8442
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract	Confinement of electrons in ultrathin metallic films leads to subbands. By increasing the thickness of the electron layer, the subbands will dissolve into a quasicontinuum, with the number of electrons per unit volume kept constant. Within the random-phase approximation, the two-dimensional plasmon, which originally follows Stern's dispersion relation, becomes a longitudinal surface plasmon. The plasmon excitations of a model metallic film are investigated by including all subbands. Single-particle excitations, which exhibit the depolarization shift, converge into the plasma excitation spectrum. With further increases in the film thickness, the bulk plasmon arises and the surface plasmon remains. Our analysis shows how quantum size effects evolve into hydrodynamical classical size effects with increasing thickness of the film.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1992HR33600028	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	37	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:2738			Serial	737
Permanent link to this record



	Author	Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
	Title	Effect of Bi bilayers on the topological states of Bi₂Se₃ : a first-principles study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	90	Issue	15	Pages	155124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000343773200001	Publication Date	2014-10-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	30	Open Access
	Notes	; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ;			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:119527			Serial	800
Permanent link to this record