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Author |
Tadić, M.; Čukarić, N.; Arsoski, V.; Peeters, F.M. |
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Title |
Excitonic Aharonov-Bohm effect : unstrained versus strained type-I semiconductor nanorings |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
12 |
Pages |
125307-125307,13 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study how mechanical strain affects the magnetic field dependence of the exciton states in type-I semiconductor nanorings. Strain spatially separates the electron and hole in (In,Ga)As/GaAs nanorings which is beneficial for the occurrence of the excitonic Aharonov-Bohm (AB) effect. In narrow strained (In,Ga)As/GaAs nanorings the AB oscillations in the exciton ground-state energy are due to anticrossings with the first excited state. No such AB oscillations are found in unstrained GaAs/(Al,Ga)As nanorings irrespective of the ring width. Our results are obtained within an exact numerical diagonalization scheme and are shown to be accurately described by a two-level model with off-diagonal coupling t. The later transfer integral expresses the Coulomb coupling between states of electron-hole pairs. We also found that the oscillator strength for exciton recombination in (In,Ga)As/GaAs nanorings exhibits AB oscillations, which are superimposed on a linear increase with magnetic field. Our results agree qualitatively with recent experiments on the excitonic Aharonov-Bohm effect in type-I (In,Ga)As/GaAs nanorings. |
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Wos |
000294777400013 |
Publication Date |
2011-09-09 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
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Notes |
; This work was supported by the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl), the EU NoE: SANDiE, and the Belgian Science Policy (IAP). The calculations were performed on the CalcUA and Seastar computer clusters of the University of Antwerp. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:92326 |
Serial |
1122 |
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Permanent link to this record |
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Author |
Tadić, M.; Peeters, F.M. |
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Title |
Binding of electrons, holes, and excitons in symmetric strained InP/ In0.49Ga0.51P triple quantum-dot molecules |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
70 |
Issue |
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Pages |
195302,1-11 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
Lancaster, Pa |
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Wos |
000225477800080 |
Publication Date |
2004-11-03 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
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Call Number |
UA @ lucian @ c:irua:69396 |
Serial |
240 |
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Author |
Tadić, M.; Peeters, F.M. |
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Title |
Excitonic properties of strained triple quantum-ring molecules |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
79 |
Issue |
15 |
Pages |
153305,1-153305,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The tunneling coupling in three vertically stacked (In,Ga)As/GaAs quantum rings is investigated. With increasing inter-ring separation (d), we find that the nonuniform strain results into a crossing of the lowest-energy electron states. Strain is also responsible for an increase in the ground electron energy above the level in the single quantum ring. The ground hole energy level exhibits decrease when d decreases, which is typical for antibonding states in an unstrained structure. These effects lead to a local maximum in the dependence of the ground-state exciton energy on d. Our theoretical results compare well with recent photoluminescence measurements but deviate considerably from the calculations for flat bands in quantum-ring molecules. We conclude that the nonuniform character of the strain distribution gives rise to a peculiar exciton hybridization in self-assembled quantum-ring molecules. |
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Place of Publication |
Lancaster, Pa |
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Wos |
000265944200018 |
Publication Date |
2009-04-21 |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:77024 |
Serial |
1123 |
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Permanent link to this record |
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Author |
Tadić, M.; Peeters, F.M. |
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Title |
Intersublevel magnetoabsorption in the valence band of p-type InAs/GaAs and Ge/Si self-assembled quantum dots |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
71 |
Issue |
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Pages |
125342,1-15 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
Lancaster, Pa |
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Wos |
000228923300115 |
Publication Date |
2005-04-01 |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
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Call Number |
UA @ lucian @ c:irua:69406 |
Serial |
1716 |
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Permanent link to this record |
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Author |
Tadić, M.; Peeters, F.M.; Janssens, K.L. |
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Title |
Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In0.49Ga0.51P self-assembled quantum dots |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
65 |
Issue |
16 |
Pages |
165333-13 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Wos |
000175325000097 |
Publication Date |
2002-07-27 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2002 IF: NA |
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Call Number |
UA @ lucian @ c:irua:103361 |
Serial |
819 |
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Permanent link to this record |
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Author |
Tafuri, F.; Miletto Granozio, F.; Carillo, F.; di Chiara, A.; Verbist, K.; Van Tendeloo, G. |
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Title |
Microstructure and Josephson phenomenology in 45° tilt and twist Yba2Cu3o7-\delta artificial grain boundaries |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
59 |
Issue |
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Pages |
11523-11531 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Place of Publication |
Lancaster, Pa |
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Wos |
000084631900069 |
Publication Date |
2002-07-27 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
52 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 1999 IF: NA |
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Call Number |
UA @ lucian @ c:irua:29720 |
Serial |
2056 |
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Permanent link to this record |
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Author |
Tahir, M.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Magneto-optical transport properties of monolayer phosphorene |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
92 |
Issue |
92 |
Pages |
045420 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular interband oscillations as functions of the frequency omega in the range (h) over bar omega similar to 1.5-2 eV. Strong intraband responses in the latter and weak ones in the former occur at much lower frequencies. The magneto-optical response can be tuned in the microwave-to-terahertz and visible frequency ranges in contrast with a conventional two-dimensional electron gas or graphene in which the response is limited to the terahertz regime. This ability to isolate carriers in an anisotropic structure may make phosphorene a promising candidate for new optical devices. |
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Wos |
000358373600003 |
Publication Date |
2015-07-23 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
68 |
Open Access |
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Notes |
; This work was supported by the the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:127192 |
Serial |
1903 |
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Permanent link to this record |
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Author |
Tahir, M.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Quantum magnetotransport properties of a MoS2 monolayer |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
93 |
Issue |
93 |
Pages |
035406 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study transport properties of a MoS2 monolayer in the presence of a perpendicular magnetic field B. We derive and discuss its band structure and take into account spin and valley Zeeman effects. Compared to a conventional two-dimensional electron gas, these effects lead to new quantum Hall plateaus and new peaks in the longitudinal resistivity as functions of the magnetic field. The field B leads to a significant enhancement of the spin splitting in the conduction band, to a beating of the Shubnikov-de Haas (SdH) oscillations in the low-field regime, and to their splitting in the high-field regime. The Zeeman fields suppress significantly the beating of the SdH oscillations in the low-field regime and strongly enhance their splitting at high fields. The spin and valley polarizations show a similar beating pattern at low fields and are clearly separated at high fields in which they attain a value higher than 90%. |
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Place of Publication |
Lancaster, Pa |
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Language |
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Wos |
000367663500003 |
Publication Date |
2016-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
42 |
Open Access |
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Notes |
; This work was supported by the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:131093 |
Serial |
4233 |
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Permanent link to this record |
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Author |
Tan, H.; Egoavil, R.; Béché, A.; Martinez, G.T.; Van Aert, S.; Verbeeck, J.; Van Tendeloo, G.; Rotella, H.; Boullay, P.; Pautrat, A.; Prellier, W. |
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Title |
Mapping electronic reconstruction at the metal-insulator interface in LaVO3/SrVO3 heterostructures |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
15 |
Pages |
155123-155126 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A (LaVO3)6/(SrVO3)(3) superlattice is studied with a combination of sub-A resolved scanning transmission electron microscopy and monochromated electron energy-loss spectroscopy. The V oxidation state is mapped with atomic spatial resolution enabling us to investigate electronic reconstruction at the LaVO3/SrVO3 interfaces. Surprisingly, asymmetric charge distribution is found at adjacent chemically symmetric interfaces. The local structure is proposed and simulated with a double channeling calculation which agrees qualitatively with our experiment. We demonstrate that local strain asymmetry is the likely cause of the electronic asymmetry of the interfaces. The electronic reconstruction at the interfaces extends much further than the chemical composition, varying from 0.5 to 1.2 nm. This distance corresponds to the length of charge transfer previously found in the (LaVO3)./(SrVO3). metal/insulating and the (LaAlO3)./(SrTiO3). insulating/insulating interfaces. |
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Wos |
000326087100003 |
Publication Date |
2013-10-21 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
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Notes |
Hercules; 246791 COUNTATOMS; 278510 VORTEX; 246102 IFOX; 312483 ESTEEM2; FWO; GOA XANES meets ELNES; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:112733UA @ admin @ c:irua:112733 |
Serial |
1944 |
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Permanent link to this record |
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Author |
Tavares, M.R.S.; Hai, G.-Q.; Peeters, F.M.; Studart, N. |
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Title |
Intersubband plasmons in quasi-one-dimensional electron systems on a liquid helium surface |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
68 |
Issue |
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Pages |
140504,1-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Publisher |
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Place of Publication |
Lancaster, Pa |
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Wos |
000186422500016 |
Publication Date |
2003-10-16 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2003 IF: NA |
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Call Number |
UA @ lucian @ c:irua:69376 |
Serial |
1713 |
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Permanent link to this record |
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Author |
Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. |
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Title |
Correlation between electrons and vortices in quantum dots |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
70 |
Issue |
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Pages |
155321,1-8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
Lancaster, Pa |
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Wos |
000224855900063 |
Publication Date |
2004-10-23 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
26 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
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Call Number |
UA @ lucian @ c:irua:69394 |
Serial |
522 |
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Permanent link to this record |
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Author |
Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. |
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Title |
Ground state and vortex structure of the N=5 and N=6 electron quantum dot |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
74 |
Issue |
12 |
Pages |
125305,1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000240872500054 |
Publication Date |
2006-09-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ c:irua:61000 |
Serial |
1383 |
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Permanent link to this record |
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Author |
Tavernier, M.B.; Anisimovas, E.; Peeters, F.M.; Szafran, B.; Adamowski, J.; Bednarek, S. |
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Title |
Four-electron quantum dot in a magnetic field |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
68 |
Issue |
|
Pages |
205305,1-9 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000187314400043 |
Publication Date |
2003-11-13 |
|
|
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 |
87 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:69377 |
Serial |
1270 |
|
Permanent link to this record |
|
|
|
|
Author |
Titantah, J.T.; Jorissen, K.; Lamoen, D. |
|
|
Title |
Density functional theory calculations of energy-loss carbon near-edge spectra of small diameter armchair and zigzag nanotubes: core-hole, curvature, and momentum-transfer orientation effects |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
69 |
Issue |
|
Pages |
125406,1-11 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000221259000113 |
Publication Date |
2004-03-18 |
|
|
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 |
28 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
|
|
Call Number |
UA @ lucian @ c:irua:45626 |
Serial |
637 |
|
Permanent link to this record |
|
|
|
|
Author |
Titantah, J.T.; Lamoen, D. |
|
|
Title |
Determination of the electron effective band mass in amorphous carbon from density-functional theory calculations |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
70 |
Issue |
|
Pages |
033101,1-4 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000222996700001 |
Publication Date |
2004-07-07 |
|
|
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 |
24 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
|
|
Call Number |
UA @ lucian @ c:irua:49655 |
Serial |
676 |
|
Permanent link to this record |
|
|
|
|
Author |
Titantah, J.T.; Lamoen, D. |
|
|
Title |
Energy-loss near-edge structure changes with bond length in carbon systems |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
72 |
Issue |
19 |
Pages |
193104,1-4 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000233603700004 |
Publication Date |
2005-11-28 |
|
|
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 |
24 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
|
|
Call Number |
UA @ lucian @ c:irua:56050 |
Serial |
1041 |
|
Permanent link to this record |
|
|
|
|
Author |
Titantah, J.T.; Lamoen, D. |
|
|
Title |
Technique for the sp2/sp3 characterization of carbon materials: ab initio calculation of near-edge structure in electron energy-loss spectra |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
70 |
Issue |
|
Pages |
033101 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000223716600040 |
Publication Date |
2004-08-31 |
|
|
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 |
41 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
|
|
Call Number |
UA @ lucian @ c:irua:47374 |
Serial |
3471 |
|
Permanent link to this record |
|
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|
|
Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
|
|
Title |
Size effects and strain state of Ga1-xInxAs/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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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Language |
|
Wos |
000260574500084 |
Publication Date |
2008-10-28 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
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 |
|
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|
|
Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
|
|
Title |
Temperature effect on the 002 structure factor of ternary Ga1-xInxAs crystals |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
76 |
Issue |
7 |
Pages |
073303,1-4 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
000249155300011 |
Publication Date |
2007-08-03 |
|
|
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 |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
|
Call Number |
UA @ lucian @ c:irua:66116 |
Serial |
3499 |
|
Permanent link to this record |
|
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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|
Title |
Critical behavior of the ferromagnets CrI₃, CrBr₃, and CrGeTe₃ and the antiferromagnet FeCl₂ : a detailed first-principles study |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
103 |
Issue |
1 |
Pages |
014432 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Ned temperature of a layered antiferromagnet iron di-chloride (FeCl2), using first-principles density functional theory calculations and Monte Carlo simulations. We develop a computational method to model the magnetic interactions in layered magnetic materials and calculate their critical temperature. We provide a unified method to obtain the magnetic exchange parameters (J) for an effective Heisenberg Hamiltonian from first principles, taking into account both the magnetic ansiotropy as well as the out-of-plane interactions. We obtain the magnetic phase change behavior, in particular the critical temperature, from the susceptibility and the specific-heat, calculated using the three-dimensional Monte Carlo (METROPOLIS) algorithm. The calculated Curie temperatures for ferromagnetic materials (CrI3, CrBr3, and CrGeTe3), match well with experimental values. We show that the interlayer interaction in bulk CrI3 with R (3) over bar stacking is significantly stronger than the C2/m stacking, in line with experimental observations. We show that the strong interlayer interaction in R (3) over bar CrI3 results in a competition between the in-plane and the out-of-plane magnetic easy axes. Finally, we calculate the Ned temperature of FeCl2 to be 47 +/- 8 K and show that the magnetic phase transition in FeCl2 occurs in two steps with a high-temperature intralayer ferromagnetic phase transition and a low-temperature interlayer antiferromagnetic phase transition. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000609012000002 |
Publication Date |
2021-01-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
; The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency Grant No. HDTRA1-18-1-0018. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:176081 |
Serial |
6686 |
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Permanent link to this record |
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Author |
Topalovic, D.B.; Arsoski, V.V.; Tadic, M.Z.; Peeters, F.M. |
|
|
Title |
Confined electron states in two-dimensional HgTe in magnetic field : quantum dot versus quantum ring behavior |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
100 |
Issue |
12 |
Pages |
125304 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We investigate the electron states and optical absorption in square- and hexagonal-shaped two-dimensional (2D) HgTe quantum dots and quantum rings in the presence of a perpendicular magnetic field. The electronic structure is modeled by means of the sp(3)d(5)s* tight-binding method within the nearest-neighbor approximation. Both bulklike and edge states appear in the energy spectrum. The bulklike states in quantum rings exhibit Aharonov-Bohm oscillations in magnetic field, whereas no such oscillations are found in quantum dots, which is ascribed to the different topology of the two systems. When magnetic field varies, all the edge states in square quantum dots appear as quasibands composed of almost fully flat levels, whereas some edge states in quantum rings are found to oscillate with magnetic field. However, the edge states in hexagonal quantum dots are localized like in rings. The absorption spectra of all the structures consist of numerous absorption lines, which substantially overlap even for small line broadening. The absorption lines in the infrared are found to originate from transitions between edge states. It is shown that the magnetic field can be used to efficiently tune the optical absorption of HgTe 2D quantum dot and quantum ring systems. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
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Editor |
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|
Language |
|
Wos |
000486638400007 |
Publication Date |
2019-09-16 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
; This work was supported by Projects No. III 41028, No. III 42008, and No. III 45003 funded by the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:162787 |
Serial |
5409 |
|
Permanent link to this record |
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Author |
Torre, I.; de Castro, L.V.; Van Duppen, B.; Barcons Ruiz, D.; Peeters, F.M.; Koppens, F.H.L.; Polini, M. |
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Title |
Acoustic plasmons at the crossover between the collisionless and hydrodynamic regimes in two-dimensional electron liquids |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
99 |
Issue |
14 |
Pages |
144307 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Hydrodynamic flow in two-dimensional electron systems has so far been probed only by dc transport and scanning gate microscopy measurements. In this work we discuss theoretically signatures of the hydrodynamic regime in near-field optical microscopy. We analyze the dispersion of acoustic plasmon modes in two-dimensional electron liquids using a nonlocal conductivity that takes into account the effects of (momentumconserving) electron-electron collisions, (momentum-relaxing) electron-phonon and electron-impurity collisions, and many-body interactions beyond the celebrated random phase approximation. We derive the dispersion and, most importantly, the damping of acoustic plasmon modes and their coupling to a near-field probe, identifying key experimental signatures of the crossover between collisionless and hydrodynamic regimes. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000465160000003 |
Publication Date |
2019-04-18 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
|
|
Notes |
; This work has been sponsored by the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 785219 “Graphene Core2” and via the European Research Council (ERC) Grant Agreement No. 786285. B.V.D. is supported by a post-doctoral fellowship of the Flemish Science Foundation (FWO-Vl). F.H.L.K. acknowledges financial support from the Spanish Ministry of Economy and Competitiveness, through the “ Severo Ochoa” Programme for Centres of Excellence in R&D (SEV-2015-0522), support by Fundacio Cellex Barcelona, Generalitat de Catalunya through the CERCA program, and the Mineco grant Plan Nacional (FIS2016-81044-P) and the Agency for Management of University and Research Grants (AGAUR) 2017 SGR 1656. F.M.P. and L.V.d.C. were supported by the Methusalem Program of the Flemish Government. We thank Niels Hesp and Hanan Hertzig Sheinfux for useful discussions. ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ admin @ c:irua:159333 |
Serial |
5193 |
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Permanent link to this record |
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Author |
Torun, E.; Sahin, H.; Bacaksiz, C.; Senger, R.T.; Peeters, F.M. |
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Title |
Tuning the magnetic anisotropy in single-layer crystal structures |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
92 |
Issue |
92 |
Pages |
104407 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The effect of an applied electric field and the effect of charging are investigated on themagnetic anisotropy (MA) of various stable two-dimensional (2D) crystals such as graphene, FeCl2, graphone, fluorographene, and MoTe2 using first-principles calculations. We found that themagnetocrystalline anisotropy energy of Co-on-graphene and Os-doped-MoTe2 systems change linearly with electric field, opening the possibility of electric field tuningMAof these compounds. In addition, charging can rotate the easy-axis direction ofCo-on-graphene andOs-doped-MoTe2 systems from the out-of-plane (in-plane) to in-plane (out-of-plane) direction. The tunable MA of the studied materials is crucial for nanoscale electronic technologies such as data storage and spintronics devices. Our results show that controlling the MA of the mentioned 2D crystal structures can be realized in various ways, and this can lead to the emergence of a wide range of potential applications where the tuning and switching of magnetic functionalities are important. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000360961400004 |
Publication Date |
2015-09-11 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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 |
37 |
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. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. C.B. and R.T.S. acknowledge support from TUBITAK Project No. 111T318. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
|
|
Call Number |
UA @ lucian @ c:irua:127838 |
Serial |
4269 |
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Permanent link to this record |
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Author |
Torun, E.; Sahin, H.; Chaves, A.; Wirtz, L.; Peeters, F.M. |
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Title |
Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
98 |
Issue |
7 |
Pages |
075419 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We explore the electronic and the optical properties of monolayer TiS3, which shows in-plane anisotropy and is composed of a chain-like structure along one of the lattice directions. Together with its robust direct band gap, which changes very slightly with stacking order and with the thickness of the sample, the anisotropic physical properties of TiS3 make the material very attractive for various device applications. In this study, we present a detailed investigation on the effect of the crystal anisotropy on the excitons and the trions of the TiS3 monolayer. We use many-body perturbation theory to calculate the absorption spectrum of anisotropic TiS3 monolayer by solving the Bethe-Salpeter equation. In parallel, we implement and use a Wannier-Mott model for the excitons that takes into account the anisotropic effective masses and Coulomb screening, which are obtained from ab initio calculations. This model is then extended for the investigation of trion states of monolayer TiS3. Our calculations indicate that the absorption spectrum of monolayer TiS3 drastically depends on the polarization of the incoming light, which excites different excitons with distinct binding energies. In addition, the binding energies of positively and the negatively charged trions are observed to be distinct and they exhibit an anisotropic probability density distribution. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
|
Wos |
000442342100002 |
Publication Date |
2018-08-21 |
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Series Editor |
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Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the FLAG-ERA project TRANS-2D-TMD. H.S. acknowledges financial support from TUBITAK under Project No. 117F095. A.C. acknowledges support from the Brazilian Research Council (CNPq), through the PRONEX/FUNCAP and Science Without Borders programs, and from the Lemann Foundation. E.T. and L.W. acknowledge support from the National Research Fund, Luxembourg (IN-TER/ANR/13/20/NANOTMD). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:153721UA @ admin @ c:irua:153721 |
Serial |
5076 |
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Permanent link to this record |
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Author |
Torun, E.; Sahin, H.; Peeters, F.M. |
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Title |
Optical properties of GaS-Ca(OH)2 bilayer heterostructure |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
93 |
Issue |
93 |
Pages |
075111 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Finding novel atomically thin heterostructures and understanding their characteristic properties are critical for developing better nanoscale optoelectronic devices. In this study, we investigate the electronic and optical properties of a GaS-Ca(OH)(2) heterostructure using first-principle calculations. The band gap of the GaS-Ca(OH)(2) heterostructure is significantly reduced when compared to those of the isolated constituent layers. Our calculations showthat the GaS-Ca(OH)(2) heterostructure is a type-II heterojunction which can be used to separate photoinduced charge carriers where electrons are localized in GaS and holes in the Ca(OH)(2) layer. This leads to spatially indirect excitons which are important for solar energy and optoelectronic applications due to their long lifetime. By solving the Bethe-Salpeter equation on top of a single shot GW calculation (G(0)W(0)), the dielectric function and optical oscillator strength of the constituent monolayers and the heterostructure are obtained. The oscillator strength of the optical transition for the GaS monolayer is an order of magnitude larger than the Ca(OH)(2) monolayer. We also found that the calculated optical spectra of different stacking types of the heterostructure show dissimilarities, although their electronic structures are rather similar. This prediction can be used to determine the stacking type of ultrathin heterostructures. |
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Wos |
000369401000001 |
Publication Date |
2016-02-06 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
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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. H.S. is supported by a FWO Pegasus long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:131614 |
Serial |
4220 |
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Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Henry, P.F.; Janson, O.; Rosner, H. |
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Title |
Short-range order of Br and three-dimensional magnetism in (CuBr)LaNb2O7 |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
85 |
Issue |
21 |
Pages |
214427 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We present a comprehensive study of the crystal structure, magnetic structure, and microscopic magnetic model of (CuBr)LaNb2O7, the Br analog of the spin-gap quantum magnet (CuCl) LaNb2O7. Despite similar crystal structures and spin lattices, the magnetic behavior and even peculiarities of the atomic arrangement in the Cl and Br compounds are very different. The high- resolution x-ray and neutron data reveal a split position of Br atoms in (CuBr) LaNb2O7. This splitting originates from two possible configurations developed by [CuBr] zigzag ribbons. While the Br atoms are locally ordered in the ab plane, their arrangement along the c direction remains partially disordered. The predominant and energetically more favorable configuration features an additional doubling of the c lattice parameter that was not observed in (CuCl) LaNb2O7. (CuBr) LaNb2O7 undergoes long-range antiferromagnetic ordering at T-N = 32 K, which is nearly 70% of the leading exchange coupling J4 similar or equal to 48 K. The Br compound does not show any experimental signatures of low-dimensional magnetism because the underlying spin lattice is three-dimensional. The coupling along the c direction is comparable to the couplings in the ab plane, even though the shortest Cu-Cu distance along c (11.69 angstrom) is three times larger than nearest-neighbor distances in the ab plane (3.55 angstrom). The stripe antiferromagnetic long-range order featuring columns of parallel spins in the ab plane and antiparallel spins along c is verified experimentally and confirmed by the microscopic analysis. |
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Wos |
000305557600002 |
Publication Date |
2012-06-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:100289 |
Serial |
2998 |
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Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H. |
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Title |
(CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
6 |
Pages |
064440-12 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states. |
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Wos |
000308127600006 |
Publication Date |
2012-08-29 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:101886 |
Serial |
3526 |
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Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Rosner, H. |
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Title |
Interplay of atomic displacement in the quantum magnet (CuCI)LaNb2O7 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
82 |
Issue |
5 |
Pages |
054107,1-054107,12 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report on the crystal structure of the quantum magnet CuClLaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction, electron diffraction, transmission electron microscopy, and band-structure calculations, we solve the room-temperature structure of this compound -CuClLaNb2O7 and find two high-temperature polymorphs. The -CuClLaNb2O7 phase, stable above 640 K, is tetragonal with asub=3.889 Å, csub =11.738 Å, and the space group P4/mmm. In the -CuClLaNb2O7 structure, the Cu and Cl atoms are randomly displaced from the special positions along the 100 directions. The phase asub2asubcsub, space group Pbmm and the phase 2asub2asubcsub, space group Pbam are stable between 640 K and 500 K and below 500 K, respectively. The structural changes at 500 and 640 K are identified as order-disorder phase transitions. The displacement of the Cl atoms is frozen upon the → transformation while a cooperative tilting of the NbO6 octahedra in the phase further eliminates the disorder of the Cu atoms. The low-temperature -CuClLaNb2O7 structure thus combines the two types of the atomic displacements that interfere due to the bonding between the Cu atoms and the apical oxygens of the NbO6 octahedra. The precise structural information resolves the controversy between the previous computation-based models and provides the long-sought input for understanding CuClLaNb2O7 and related compounds with unusual magnetic properties. |
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Wos |
000280849400001 |
Publication Date |
2010-08-12 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:83991 |
Serial |
1706 |
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Permanent link to this record |
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Author |
Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H. |
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Title |
Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
84 |
Issue |
1 |
Pages |
014429-014429,16 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin. |
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Wos |
000293247400008 |
Publication Date |
2011-07-28 |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
47 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:91770 |
Serial |
2588 |
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Permanent link to this record |
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Author |
Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Shpanchenko, R.V.; Geibel, C.; Rosner, H. |
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Title |
Frustrated square lattice with spatial anisotropy: crystal structure and magnetic properties of PbZnVO(PO4)2 |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
81 |
Issue |
17 |
Pages |
174424,1-174424,13 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Crystal structure and magnetic properties of the layered vanadium phosphate PbZnVO(PO4)2 are studied using x-ray powder diffraction, magnetization and specific-heat measurements, as well as band-structure calculations. The compound resembles AA′VO(PO4)2 vanadium phosphates and fits to the extended frustrated square-lattice model with the couplings J1, J1′ between nearest neighbors and J2, J2′ between next-nearest neighbors. The temperature dependence of the magnetization yields estimates of averaged nearest-neighbor and next-nearest-neighbor couplings, J̅ 1≃−5.2 K and J̅ 2≃10.0 K, respectively. The effective frustration ratio α=J̅ 2/J̅ 1 amounts to −1.9 and suggests columnar antiferromagnetic ordering in PbZnVO(PO4)2. Specific-heat data support the estimates of J̅ 1 and J̅ 2 and indicate a likely magnetic ordering transition at 3.9 K. However, the averaged couplings underestimate the saturation field, thus pointing to the spatial anisotropy of the nearest-neighbor interactions. Band-structure calculations confirm the identification of ferromagnetic J1, J1′ and antiferromagnetic J2, J2′ in PbZnVO(PO4)2 and yield (J1′−J1)≃1.1 K in excellent agreement with the experimental value of 1.1 K, deduced from the difference between the expected and experimentally measured saturation fields. Based on the comparison of layered vanadium phosphates with different metal cations, we show that a moderate spatial anisotropy of the frustrated square lattice has minor influence on the thermodynamic properties of the model. We discuss relevant geometrical parameters, controlling the exchange interactions in these compounds and propose a strategy for further design of strongly frustrated square-lattice materials. |
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Wos |
000278141600082 |
Publication Date |
2010-05-25 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:83384 |
Serial |
1294 |
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Permanent link to this record |