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Author |
Kocabas, T.; Cakir, D.; Gulseren, O.; Ay, F.; Perkgoz, N.K.; Sevik, C. |
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Title |
A distinct correlation between the vibrational and thermal transport properties of group VA monolayer crystals |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
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Volume  |
10 |
Issue |
16 |
Pages |
7803-7812 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The investigation of thermal transport properties of novel two-dimensional materials is crucially important in order to assess their potential to be used in future technological applications, such as thermoelectric power generation. In this respect, the lattice thermal transport properties of the monolayer structures of group VA elements (P, As, Sb, Bi, PAs, PSb, PBi, AsSb, AsBi, SbBi, P3As1, P3Sb1, P1As3, and As3Sb1) with a black phosphorus like puckered structure were systematically investigated by first-principles calculations and an iterative solution of the phonon Boltzmann transport equation. Phosphorene was found to have the highest lattice thermal conductivity, , due to its low average atomic mass and strong interatomic bonding character. As a matter of course, anisotropic was obtained for all the considered materials, owing to anisotropy in frequency values and phonon group velocities calculated for these structures. However, the determined linear correlation between the anisotropy in the values of P, As, and Sb is significant. The results corresponding to the studied compound structures clearly point out that thermal (electronic) conductivity of pristine monolayers might be suppressed (improved) by alloying them with the same group elements. For instance, the room temperature of PBi along the armchair direction was predicted to be as low as 1.5 W m(-1) K-1, whereas that of P was predicted to be 21 W m(-1) K-1. In spite of the apparent differences in structural and vibrational properties, we peculiarly revealed an intriguing correlation between the values of all the considered materials as = c(1) + c(2)/m(2), in particular along the zigzag direction. Furthermore, our calculations on compound structures clearly showed that the thermoelectric potential of these materials can be improved by suppressing their thermal properties. The presence of ultra-low values and high electrical conductivity (especially along the armchair direction) makes this class of monolayers promising candidates for thermoelectric applications. |
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Wos |
000431030000054 |
Publication Date |
2018-03-22 |
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Series Issue |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:193785 |
Serial |
7388 |
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Author |
Sarikurt, S.; Çakir, D.; Keceli, M.; Sevik, C. |
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Title |
The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanoscale |
Abbreviated Journal |
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Volume |
10 |
Issue |
18 |
Pages |
8859-8868 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The newest members of a two-dimensional material family, involving transition metal carbides and nitrides (called MXenes), have garnered increasing attention due to their tunable electronic and thermal properties depending on the chemical composition and functionalization. This flexibility can be exploited to fabricate efficient electrochemical energy storage (batteries) and energy conversion (thermoelectric) devices. In this study, we calculated the Seebeck coefficients and lattice thermal conductivity values of oxygen terminated M2CO2 (where M = Ti, Zr, Hf, Sc) monolayer MXene crystals in two different functionalization configurations (model-II (MD-II) and model-III (MD-III)), using density functional theory and Boltzmann transport theory. We estimated the thermoelectric figure-of-merit, zT, of these materials by two different approaches, as well. First of all, we found that the structural model (i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials. The lattice thermal conductivity kappa(l), Seebeck coefficient and zT values may vary by 40% depending on the structural model. The MD-III configuration always has the larger band gap, Seebeck coefficient and zT, and smaller kappa(l) as compared to the MD-II structure due to a larger band gap, highly flat valence band and reduced crystal symmetry in the former. The MD-III configuration of Ti2CO2 and Zr2CO2 has the lowest kappa(l) as compared to the same configuration of Hf2CO2 and Sc2CO2. Among all the considered structures, the MD-II configuration of Hf2CO2 has the highest kappa(l), and Ti2CO2 and Zr2CO2 in the MD-III configuration have the lowest kappa(l). For instance, while the band gap of the MD-II configuration of Ti2CO2 is 0.26 eV, it becomes 0.69 eV in MD-III. The zT(max) value may reach up to 1.1 depending on the structural model of MXene. |
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Wos |
000432096400055 |
Publication Date |
2018-04-06 |
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Abbreviated Series Title |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:193788 |
Serial |
8654 |
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Author |
Tang, C.S.; Zeng, S.; Wu, J.; Chen, S.; Naradipa, M.A.; Song, D.; Milošević, M.V.; Yang, P.; Diao, C.; Zhou, J.; Pennycook, S.J.; Breese, M.B.H.; Cai, C.; Venkatesan, T.; Ariando, A.; Yang, M.; Wee, A.T.S.; Yin, X. |
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Title |
Detection of two-dimensional small polarons at oxide interfaces by optical spectroscopy |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Applied physics reviews |
Abbreviated Journal |
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Volume |
10 |
Issue |
3 |
Pages |
031406-31409 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional (2D) perovskite oxide interfaces are ideal systems to uncover diverse emergent properties, such as the arising polaronic properties from short-range charge-lattice interactions. Thus, a technique to detect this quasiparticle phenomenon at the buried interface is highly coveted. Here, we report the observation of 2D small-polarons at the LaAlO3/SrTiO3 conducting interface using high-resolution spectroscopic ellipsometry. First-principles investigations show that interfacial electron-lattice coupling mediated by the longitudinal phonon mode facilitates the formation of these polarons. This study resolves the long-standing question by attributing the formation of interfacial 2D small polarons to the significant mismatch between experimentally measured interfacial carrier density and theoretical values. Our study sheds light on the complexity of broken periodic lattice-induced quasi-particle effects and its relationship with exotic phenomena at complex oxide interfaces. Meanwhile, this work establishes spectroscopic ellipsometry as a useful technique to detect and locate optical evidence of polaronic states and other emerging quantum properties at the buried interface. |
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Wos |
001038283300001 |
Publication Date |
2023-09-06 |
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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 |
1931-9401 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 15; 2023 IF: 13.667 |
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Call Number |
UA @ admin @ c:irua:198433 |
Serial |
8847 |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
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Title |
Composite vortex ordering in superconducting films with arrays of blind holes |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
11 |
Issue |
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Pages |
013025,1-013025,20 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The pinning properties of a superconducting thin film with a square array of blind holes are studied using the nonlinear GinzburgLandau theory. Although blind holes provide a weaker pinning potential than holes (also called antidots), several novel vortex structures are predicted for different size and thickness of the blind holes. Orientational dimer and trimer vortex states as well as concentric vortex shells can nucleate in the blind holes. In addition, we predict the stabilization of giant vortices that may be located both in the pinning centers and/or at the interstitial sites, as well as the combination of giant vortices with sets of individual vortices. For large blind holes, local vortex shell structures inside the blind holes may transfer their symmetry to interstitial vortices as well. The subtle interplay of shell formation and traditional Abrikosov vortex lattices inside the blind holes is also studied for different numbers of trapped vortices. |
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Place of Publication |
Bristol |
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Wos |
000262932600002 |
Publication Date |
2009-01-21 |
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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 |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
33 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
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Call Number |
UA @ lucian @ c:irua:75987 |
Serial |
441 |
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Author |
van den Broek, M.; Peeters, F.M. |
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Title |
Confined states in two-dimensional flat elliptic quantum dots and elliptic quantum wires |
Type |
A1 Journal article |
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Year |
2001 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
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Volume |
11 |
Issue |
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Pages |
345-355 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
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Wos |
000173201200007 |
Publication Date |
2002-07-25 |
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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 |
1386-9477; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.221 |
Times cited |
54 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.221; 2001 IF: 1.009 |
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Call Number |
UA @ lucian @ c:irua:37307 |
Serial |
486 |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Magnetic Kronig-Penney model for Dirac electrons in single-layer graphene |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
11 |
Issue |
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Pages |
095009,1-095009,21 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
he properties of Dirac electrons in a magnetic superlattice (SL) on graphene consisting of very high and thin (δ-function) barriers are investigated. We obtain the energy spectrum analytically and study the transmission through a finite number of barriers. The results are contrasted with those for electrons described by the Schrödinger equation. In addition, a collimation of an incident beam of electrons is obtained along the direction perpendicular to that of the SL. We also highlight an analogy with optical media in which the refractive index varies in space. |
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Place of Publication |
Bristol |
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Wos |
000270513500008 |
Publication Date |
2009-10-01 |
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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 |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
89 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
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Call Number |
UA @ lucian @ c:irua:79241 |
Serial |
1884 |
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Author |
de Meester, R.H.J.; Peeters, F.M. |
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Title |
Non monotonic behavior of the energy levels of quantum wells with a large mass mismatch in the presence of an in-plane magnetic field |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
11 |
Issue |
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Pages |
6207-6216 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Place of Publication |
London |
Editor |
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Wos |
000082236700015 |
Publication Date |
0000-00-00 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 1999 IF: 1.639 |
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Call Number |
UA @ lucian @ c:irua:27021 |
Serial |
2349 |
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Author |
van Dyck, D.; Van Aert, S.; Croitoru, M.D. |
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Title |
Obstacles on the road towards atomic resolution tomography |
Type |
A3 Journal article |
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Year |
2005 |
Publication |
Microscoy and microanalysis |
Abbreviated Journal |
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Volume |
11 |
Issue |
S2 |
Pages |
238-239 |
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Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Abbreviated Series Title |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:57129 |
Serial |
2426 |
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Author |
Lukyanchuk, I.; Vinokur, V.M.; Rydh, A.; Xie, R.; Milošević, M.V.; Welp, U.; Zach, M.; Xiao, Z.L.; Crabtree, G.W.; Bending, S.J.; Peeters, F.M.; Kwok, W.K. |
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Title |
Rayleigh instability of confined vortex droplets in critical superconductors |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nature physics |
Abbreviated Journal |
Nat Phys |
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Volume |
11 |
Issue |
11 |
Pages |
21-25 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Depending on the Ginzburg-Landau parameter kappa, superconductors can either be fully diamagnetic if kappa < 1/root 2 (type I superconductors) or allow magnetic flux to penetrate through Abrikosov vortices if kappa > 1/root 2 (type II superconductors; refs 1,2). At the Bogomolny critical point, kappa = kappa(c) = 1/root 2, a state that is infinitely degenerate with respect to vortex spatial configurations arises(3,4). Despite in-depth investigations of conventional type I and type II superconductors, a thorough understanding of the magnetic behaviour in the near-Bogomolny critical regime at kappa similar to kappa(c) remains lacking. Here we report that in confined systems the critical regime expands over a finite interval of kappa forming a critical superconducting state. We show that in this state, in a sample with dimensions comparable to the vortex core size, vortices merge into a multi-quanta droplet, which undergoes Rayleigh instability(5) on increasing kappa and decays by emitting single vortices. Superconducting vortices realize Nielsen-Olesen singular solutions of the Abelian Higgs model, which is pervasive in phenomena ranging from quantum electrodynamics to cosmology(6-9). Our study of the transient dynamics of Abrikosov-Nielsen-Olesen vortices in systems with boundaries promises access to non-trivial effects in quantum field theory by means of bench-top laboratory experiments. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000346831100018 |
Publication Date |
2014-11-06 |
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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 |
1745-2473;1745-2481; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
22.806 |
Times cited |
20 |
Open Access |
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Notes |
; We would like to thank N. Nekrasov for illuminating discussions. The work was supported by the US Department of Energy, Office of Science Materials Sciences and Engineering Division (V.M.V., W.K.K., U.W., R.X., M.Z., Z.L.X., G.W.C. and partially I.L. through the Materials Theory Institute), by FP7-IRSES-SIMTECH and ITN-NOTEDEV programs (I.L.), and by the Flemish Science Foundation (FWO-Vlaanderen) (M.V.M. and F.M.P.). ; |
Approved |
Most recent IF: 22.806; 2015 IF: 20.147 |
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Call Number |
c:irua:122791 c:irua:122791 |
Serial |
2815 |
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Author |
Roditchev, D.; Brun, C.; Serrier-Garcia, L.; Cuevas, J.C.; Bessa, V.H.L.; Milošević, M.V.; Debontridder, F.; Stolyarov, V.; Cren, T. |
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Title |
Direct observation of Josephson vortex cores |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Nature physics |
Abbreviated Journal |
Nat Phys |
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Volume |
11 |
Issue |
11 |
Pages |
332-337 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Superconducting correlations may propagate between two superconductors separated by a tiny insulating or metallic barrier, allowing a dissipationless electric current to flow(1,2). In the presence of a magnetic field, the maximum supercurrent oscillates(3) and each oscillation corresponding to the entry of one Josephson vortex into the barrier(4). Josephson vortices are conceptual blocks of advanced quantum devices such as coherent terahertz generators(5) or qubits for quantum computing(6), in which on-demand generation and control is crucial. Here, we map superconducting correlations inside proximity Josephson junctions(7) using scanning tunnelling microscopy. Unexpectedly, we find that such Josephson vortices have real cores, in which the proximity gap is locally suppressed and the normal state recovered. By following the Josephson vortex formation and evolution we demonstrate that they originate from quantum interference of Andreev quasiparticles(8), and that the phase portraits of the two superconducting quantum condensates at edges of the junction decide their generation, shape, spatial extent and arrangement. Our observation opens a pathway towards the generation and control of Josephson vortices by applying supercurrents through the superconducting leads of the junctions, that is, by purely electrical means without any need for a magnetic field, which is a crucial step towards high-density on-chip integration of superconducting quantum devices. |
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Wos |
000352163100016 |
Publication Date |
2015-02-23 |
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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 |
1745-2473;1745-2481; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
22.806 |
Times cited |
102 |
Open Access |
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Notes |
T.C., C.B., F.D., V.S. and D.R. acknowledge financial support from the French ANR project and the French-Russian program PICS-CNRS/RAS. The authors also thank V. Cherkez for assistance during experiments and V. Vinokur (Argonne National Laboratory, Illinois USA) and A. Buzdin (University of Bordeaux 1, France) for stimulating discussions. J.C.C. acknowledges financial support from the Spanish MICINN (Contract No. FIS2011-28851-C1). V.H.L.B. acknowledges support from CNPq Brazil and productive discussions with Prof. A. Chaves (UFC, Brazil). M.V.M. acknowledges support from Research Foundation Flanders (FWO-Vlaanderen) and CAPES Brazil (PVE project BEX1392/11-5). |
Approved |
Most recent IF: 22.806; 2015 IF: 20.147 |
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Call Number |
c:irua:132524 c:irua:132524 |
Serial |
3943 |
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| Permanent link to this record |
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Author |
Bals, S.; Kisielowski, C.; Croitoru, M.; Van Tendeloo, G. |
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Title |
Tomography using annular dark field imaging in TEM |
Type |
A3 Journal article |
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Year |
2005 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
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Volume |
11 |
Issue |
S |
Pages |
2118-2119 |
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Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
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Wos |
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Publication Date |
0000-00-00 |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:54880 |
Serial |
3672 |
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| Permanent link to this record |
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Author |
Xu, B.; Milošević, M.V.; Peeters, F.M. |
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Title |
Vortex matter in oblate mesoscopic superconductors with a hole: broken symmetry vortex states and multi-vortex entry |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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| |
Volume |
11 |
Issue |
|
Pages |
013020,1-013020,21 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Using three-dimensional (3D) numerical discretization of the GinzburgLandau (GL) equations, we investigate the superconducting state of a sphere with a piercing hole in the presence of a magnetic field. In the case of samples with central perforation, in axially applied homogeneous magnetic field, we realized unconventional vortex states of broken symmetry due to complex, 3D competing interactions, which depend on the GL parameter ê. For certain sizes of the sample, non-hysteretic multi-vortex entry and exit is predicted with the non-existence of some vorticities as stable states. In a tilted magnetic field, we studied the gradual transformation of 3D flux patterns into 1D vortex chains, where vortices align along the perforation, and the evolvement of the multi-vortex entry as well. We analyze the flux-guiding ability of the hole in a tilted field, which leads to fractional flux response in magnetization M(H) curves. |
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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 |
Bristol |
Editor |
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| |
Language |
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Wos |
000262932500003 |
Publication Date |
2009-01-17 |
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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 |
|
Edition |
|
|
| |
ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.786 |
Times cited |
8 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3.786; 2009 IF: 3.312 |
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| |
Call Number |
UA @ lucian @ c:irua:75986 |
Serial |
3873 |
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| Permanent link to this record |
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Author |
Ghorbanfekr, H.; Behler, J.; Peeters, F.M. |
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| |
Title |
Insights into water permeation through hBN nanocapillaries by ab initio machine learning molecular dynamics simulations |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Journal Of Physical Chemistry Letters |
Abbreviated Journal |
J Phys Chem Lett |
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| |
Volume |
11 |
Issue |
17 |
Pages |
7363-7370 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A high-dimensional neural network potential trained on density-functional theory calculations is employed. We simulate water in van der Waals nanocapillaries and study the impact of nanometric confinement on the structure and dynamics of water using both equilibrium and nonequilibrium methods. At an interlayer distance of 10.2 A confinement induces a first-order phase transition resulting in a well-defined AA-stacked bilayer of hexagonal ice. In contrast, for h < 9 A, the 2D water monolayer consists of a mixture of different locally ordered patterns of squares, pentagons, and hexagons. We found a significant change in the transport properties of confined water, particularly for monolayer water where the water-solid friction coefficient decreases to half and the diffusion coefficient increases by a factor of 4 as compared to bulk water. Accordingly, the slip-velocity is found to increase under confinement and we found that the overall permeation is dominated by monolayer water adjacent to the hBN membranes at extreme confinements. We conclude that monolayer water in addition to bilayer ice has a major contribution to water transport through 2D nanochannels. |
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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 |
000569375400061 |
Publication Date |
2020-08-10 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1948-7185 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.7 |
Times cited |
24 |
Open Access |
|
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program (Grant Number: G099219N). The authors thank Arham Amouei for the helpful discussion regarding MD simulations. ; |
Approved |
Most recent IF: 5.7; 2020 IF: 9.353 |
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| |
Call Number |
UA @ admin @ c:irua:171996 |
Serial |
6546 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Mortazavi, B.; Faraji, M.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Nguyen, C.; Ghergherehchi, M.; Feghhi, S.A.H. |
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Title |
Ab initio prediction of semiconductivity in a novel two-dimensional Sb₂X₃ (X= S, Se, Te) monolayers with orthorhombic structure |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
|
| |
Volume |
11 |
Issue |
1 |
Pages |
10366 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Sb2S3 and Sb2Se3 are well-known layered bulk structures with weak van der Waals interactions. In this work we explore the atomic lattice, dynamical stability, electronic and optical properties of Sb2S3, Sb2Se3 and Sb2Te3 monolayers using the density functional theory simulations. Molecular dynamics and phonon dispersion results show the desirable thermal and dynamical stability of studied nanosheets. On the basis of HSE06 and PBE/GGA functionals, we show that all the considered novel monolayers are semiconductors. Using the HSE06 functional the electronic bandgap of Sb2S3, Sb2Se3 and Sb2Te3 monolayers are predicted to be 2.15, 1.35 and 1.37 eV, respectively. Optical simulations show that the first absorption coefficient peak for Sb2S3, Sb2Se3 and Sb2Te3 monolayers along in-plane polarization is suitable for the absorption of the visible and IR range of light. Interestingly, optically anisotropic character along planar directions can be desirable for polarization-sensitive photodetectors. Furthermore, we systematically investigate the electrical transport properties with combined first-principles and Boltzmann transport theory calculations. At optimal doping concentration, we found the considerable larger power factor values of 2.69, 4.91, and 5.45 for hole-doped Sb2S3, Sb2Se3, and Sb2Te3, respectively. This study highlights the bright prospect for the application of Sb2S3, Sb2Se3 and Sb2Te3 nanosheets in novel electronic, optical and energy conversion systems. |
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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 |
000656961400019 |
Publication Date |
2021-05-14 |
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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 |
|
Edition |
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| |
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.259 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 4.259 |
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| |
Call Number |
UA @ admin @ c:irua:179188 |
Serial |
6965 |
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| Permanent link to this record |
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Author |
Rzeszotarski, B.; Mrenca-Kolasinska, A.; Peeters, F.M.; Szafran, B. |
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Title |
Effective Landé factors for an electrostatically defined quantum point contact in silicene |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Scientific Reports |
Abbreviated Journal |
Sci Rep-Uk |
|
| |
Volume |
11 |
Issue |
1 |
Pages |
19892 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The transconductance and effective Lande g* factors for a quantum point contact defined in silicene by the electric field of a split gate is investigated. The strong spin-orbit coupling in buckled silicene reduces the g* factor for in-plane magnetic field from the nominal value 2 to around 1.2 for the first-to 0.45 for the third conduction subband. However, for perpendicular magnetic field we observe an enhancement of g* factors for the first subband to 5.8 in nanoribbon with zigzag and to 2.5 with armchair edge. The main contribution to the Zeeman splitting comes from the intrinsic spin-orbit coupling defined by the Kane-Mele form of interaction. |
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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 |
000706380800089 |
Publication Date |
2021-10-08 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
4.259 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
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Approved |
Most recent IF: 4.259 |
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| |
Call Number |
UA @ admin @ c:irua:182502 |
Serial |
6983 |
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| Permanent link to this record |
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Author |
Pinto, N.; McNaughton, B.; Minicucci, M.; Milošević, M.V.; Perali, A. |
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Title |
Electronic transport mechanisms correlated to structural properties of a reduced graphene oxide sponge |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
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| |
Volume |
11 |
Issue |
10 |
Pages |
2503 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge ”, having a density as low as & AP;0.07 kg/m3 and a carbon to oxygen ratio C:O & SIME; 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of & SIME;16.3 nm. A defect density as high as & SIME;2.6 x 1011 cm-2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to & SIME;153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at & SIME;6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T < 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.</p> |
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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 |
000713174500001 |
Publication Date |
2021-09-28 |
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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 |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.553 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.553 |
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| |
Call Number |
UA @ admin @ c:irua:184050 |
Serial |
6988 |
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| Permanent link to this record |
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Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
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Title |
High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
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| |
Volume |
11 |
Issue |
33 |
Pages |
11185-11194 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics. |
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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 |
001041124900001 |
Publication Date |
2023-07-26 |
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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 |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.4 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: 5.256 |
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Call Number |
UA @ admin @ c:irua:198296 |
Serial |
8821 |
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| Permanent link to this record |
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Author |
Yorulmaz, U.; Šabani, D.; Sevik, C.; Milošević, M.V. |
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Title |
Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
2D materials |
Abbreviated Journal |
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| |
Volume |
11 |
Issue |
3 |
Pages |
035013-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures. |
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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 |
001208053200001 |
Publication Date |
2024-04-12 |
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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 |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:205464 |
Serial |
9153 |
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| Permanent link to this record |
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Author |
Tadic; Peeters, F.M. |
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Title |
Electronic structure of the valence band in cylindrical strained InP/InGaP quantum dots in an external magnetic field |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica. E: Low-dimensional systems and nanostructures
T2 – 14th International Conference on the Electronic Properties of, Two-Dimensional Systems, July 30-August 03, 2001, Prague, Czech Republic |
Abbreviated Journal |
Physica E |
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Volume |
12 |
Issue |
1-4 |
Pages |
880-883 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The multiband effective-mass model of cylindrical self-assembled quantum dots in a magnetic field normal to the layer of the quantum dots is presented. The strain distribution is computed by the valence force field method. The strain-dependent multiband Hamiltonian is modified into an axially symmetric form, which commutes with the total angular momentum F-2 = fh. where f denotes the total magnetic quantum number. The heavy hole and the light hole parts in the mixed hole state are resolved. It is found that the heavy hole component dominates in the ground states for both f = 1/2 and 3/2. The electronic structure exhibits numerous anticrossings between the hole levels. The Zeeman splitting between the +\f\ and -\f\ states is also computed. (C) 2002 Elsevier Science B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000175206300217 |
Publication Date |
2002-10-15 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.221 |
Times cited |
1 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.221; 2002 IF: 1.107 |
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| |
Call Number |
UA @ lucian @ c:irua:95138 |
Serial |
1016 |
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| Permanent link to this record |
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Author |
Freire, J.A.K.; Studart, N.; Peeters, F.M.; Farias, G.A.; Freire, V.N. |
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| |
Title |
Magnetic confinement of electrons into quantum wires and dots on a liquid helium surface |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica. E: Low-dimensional systems and nanostructures
T2 – 14th International Conference on the Electronic Properties of, Two-Dimensional Systems, July 30-August 03, 2001, Prague, Czech Republic |
Abbreviated Journal |
Physica E |
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| |
Volume |
12 |
Issue |
1-4 |
Pages |
946-949 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the possibility to laterally confine surface electrons on a liquid helium surface by inserting magnetic discs and stripes which generate nonhomogeneous magnetic field profiles. (C) 2002 Elsevier Science B.V. All rights reserved. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000175206300233 |
Publication Date |
2002-10-15 |
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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 |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.221 |
Times cited |
2 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.221; 2002 IF: 1.107 |
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| |
Call Number |
UA @ lucian @ c:irua:95139 |
Serial |
1864 |
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| Permanent link to this record |
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Author |
de Backer, J.W.; Vos, W.G.; Verhulst, S.L.; de Backer, W. |
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Title |
Novel imaging techniques using computer methods for the evaluation of the upper airway in patients with sleep-disordered breathing: a comprehensive review |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Sleep medicine reviews |
Abbreviated Journal |
Sleep Med Rev |
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| |
Volume |
12 |
Issue |
6 |
Pages |
437-447 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Patients with sleep related breathing disorders (SRBD) can be treated with nasal continuous positive airway pressure (nCPAP) or with several upper airway (UA) interventions. While nCPAP is almost always effective when clinically well tolerated, the therapeutic outcome of UA surgery and UA devices is difficult to predict. The improvement of our capability to perform the latter predictions more accurately is of great clinical importance since it will prevent patients to be treated with ineffective, sometimes irreversible, techniques. In this review we describe the importance of new imaging methods in this respect. We first refer to the most important pathophysiological mechanisms known so far to play a role in SRBD, indicating that functional imaging could elucidate these mechanisms in a patient specific manner. Then we describe the new technologies that make UA imaging more functional referring to the data as they are presently available. Finally we summarise the studies that do indicate that the use of functional imaging of the UA in SRBD patients may significantly help to predict the clinical outcome after UA interventions. |
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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 |
New York |
Editor |
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| |
Language |
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Wos |
000261904500003 |
Publication Date |
2008-10-16 |
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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 |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1087-0792; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
8.958 |
Times cited |
33 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 8.958; 2008 IF: 6.143 |
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| |
Call Number |
UA @ lucian @ c:irua:71640 |
Serial |
2378 |
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| Permanent link to this record |
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Author |
Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. |
|
| |
Title |
Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physics of plasmas |
Abbreviated Journal |
Phys Plasmas |
|
| |
Volume |
12 |
Issue |
11 |
Pages |
113501,1-9 |
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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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Thesis |
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| |
Publisher |
|
Place of Publication |
Woodbury, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000233569600046 |
Publication Date |
2005-11-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1070-664X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.115 |
Times cited |
15 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.115; 2005 IF: 2.182 |
|
| |
Call Number |
UA @ lucian @ c:irua:56048 |
Serial |
2575 |
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| Permanent link to this record |
| |
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| |
|
Author |
Novoselov, K.S.; Geim, A.K.; Dubonos, S.V.; Cornelissens, Y.G.; Peeters, F.M.; Maan, J.C. |
|
| |
Title |
Quenching of the Hall effect in localised high magnetic field regions |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
|
| |
Volume |
12 |
Issue |
1/4 |
Pages |
244-247 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report the suppression of the Hall effect in a mesoscopic Hall cross with a strong magnetic field only in the centre and vanishingly small outside, The local magnetic field is produced by placing Dy pillar on top of a structure with a high-mobility two-dimensional electron gas. The effect is found to be due to a sharp increase of the number of back-scattered and quasi-localised electron orbits. The possibility of localising electrons inside the magnetic inhomogeneity region is discussed. (C) 2002 Elsevier Science B.V. All rights reserved. |
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| |
Address |
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Corporate Author |
|
Thesis |
|
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| |
Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000175206300061 |
Publication Date |
2002-10-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.221 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.221; 2002 IF: 1.107 |
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| |
Call Number |
UA @ lucian @ c:irua:94939 |
Serial |
2804 |
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| Permanent link to this record |
| |
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| |
|
Author |
Masir, M.R.; Peeters, F.M. |
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| |
Title |
Scattering of Dirac electrons by a random array of magnetic flux tubes |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of computational electronics |
Abbreviated Journal |
J Comput Electron |
|
| |
Volume |
12 |
Issue |
2 |
Pages |
115-122 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The scattering of two-dimensional (2D) massless electrons as presented in graphene in the presence of a random array of circular magnetic flux tubes is investigated. The momentum relaxation time and the Hall factor are obtained using optical theorem techniques for scattering. Electrons with energy close to those of the Landau levels of the flux tubes exhibit resonant scattering and have a long life-time to reside inside the magnetic flux tube. These resonances appear as sharp structures in the Hall factor and the magneto-resistance. |
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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 |
S.l. |
Editor |
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| |
Language |
|
Wos |
000320044900007 |
Publication Date |
2013-02-15 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1569-8025;1572-8137; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.526 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-Vl). We acknowledge fruitful discussions with A. Matulis. ; |
Approved |
Most recent IF: 1.526; 2013 IF: 1.372 |
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| |
Call Number |
UA @ lucian @ c:irua:109615 |
Serial |
2950 |
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| Permanent link to this record |
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| |
|
Author |
Reijniers, J.; Peeters, F.M. |
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| |
Title |
Snake orbits and related magnetic edge states |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
| |
Volume |
12 |
Issue |
|
Pages |
9771-9786 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM) |
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| |
Abstract |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
London |
Editor |
|
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| |
Language |
|
Wos |
000165795500009 |
Publication Date |
2002-08-25 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
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 |
66 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.649; 2000 IF: 1.608 |
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| |
Call Number |
UA @ lucian @ c:irua:34352 |
Serial |
3045 |
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| Permanent link to this record |
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| |
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Author |
Verberck, B. |
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| |
Title |
Symmetry-adapted rotator functions for molecules in cylindrical confinement |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
International journal of molecular sciences |
Abbreviated Journal |
Int J Mol Sci |
|
| |
Volume |
12 |
Issue |
1 |
Pages |
317-333 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We present a general description of the formalism of symmetry-adapted rotator functions (SARFs) for molecules in cylindrical confinement. Molecules are considered as clusters of interaction centers (ICs), can have any symmetry, and can display different types of ICs. Cylindrical confinement can be realized by encapsulation in a carbon nanotube (CNT). The potential energy of a molecule surrounded by a CNT can be calculated by evaluating a limited number of terms of an expansion into SARFs, which offers a significant reduction of the computation time. Optimal molecular orientations can be deduced from the resulting potential energy landscape. Examples, including the case of a molecule with cubic symmetry inside a CNT, are discussed. |
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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 |
|
Editor |
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| |
Language |
|
Wos |
000286583400017 |
Publication Date |
2011-01-13 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1422-0067; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.226 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 3.226; 2011 IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:88048 |
Serial |
3402 |
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| Permanent link to this record |
| |
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| |
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Author |
Bussmann-Holder, A.; Michel, K.H. |
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| |
Title |
The isotope effect in hydrogen-bonded systems |
Type |
A1 Journal article |
| |
Year |
1998 |
Publication |
International journal of modern physics: B: condensed matter physics, statistical physics, applied physics
T2 – 1st International Conference on New Theories, Discoveries, and, Applications of Superconductors and Related Materials (New3SC-1), FEB 19-24, 19 |
Abbreviated Journal |
Int J Mod Phys B |
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| |
Volume |
12 |
Issue |
29-31 |
Pages |
3406-3408 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ... H ... O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Singapore |
Editor |
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| |
Language |
|
Wos |
000079114500104 |
Publication Date |
2003-10-01 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0217-9792;1793-6578; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
0.736 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 0.736; 1998 IF: 0.987 |
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| |
Call Number |
UA @ lucian @ c:irua:102920 |
Serial |
3589 |
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| Permanent link to this record |
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| |
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Author |
Verberck, B.; Nikolaev, A.V.; Michel, K.H. |
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| |
Title |
Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures
T2 – 6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA |
Abbreviated Journal |
Fuller Nanotub Car N |
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| |
Volume |
12 |
Issue |
1-2 |
Pages |
243-252 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow – (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds. |
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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 |
000220551600040 |
Publication Date |
2004-03-15 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1536-383X;1536-4046; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
1.35 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.35; 2004 IF: 1.117 |
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| |
Call Number |
UA @ lucian @ c:irua:103259 |
Serial |
3607 |
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| Permanent link to this record |
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Author |
Riva, C.; Peeters, F.M.; Varga, K. |
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| |
Title |
Theory of trions in quantum wells |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica. E: Low-dimensional systems and nanostructures
T2 – 14th International Conference on the Electronic Properties of, Two-Dimensional Systems, JUL 30-AUG 03, 2001, PRAGUE, CZECH REPUBLIC |
Abbreviated Journal |
Physica E |
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| |
Volume |
12 |
Issue |
1-4 |
Pages |
543-545 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
We investigate the energy levels of the negatively and positively charged excitons (also called trions) in a 200 Angstrom wide GaAs quantum well in the presence of a perpendicular magnetic field. A comparison is made with the experimental results of Glasberg et al. (Phys. Rev. B. 59 (1999) R10 425) and of Yusa et al. (cond-mat/0103505). (C) 2002 Elsevier Science B.V. All rights reserved. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000175206300134 |
Publication Date |
2002-10-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.221 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.221; 2002 IF: 1.107 |
|
| |
Call Number |
UA @ lucian @ c:irua:103903 |
Serial |
3624 |
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| Permanent link to this record |
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| |
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Author |
Badalyan, S.M.; Peeters, F.M. |
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| |
Title |
Transport of magnetic edge states in a quantum wire exposed to a non-homogeneous magnetic field |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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| |
Volume |
12 |
Issue |
|
Pages |
570-576 |
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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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Thesis |
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| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
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| |
Language |
|
Wos |
000173305300041 |
Publication Date |
2002-08-25 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0957-4484;1361-6528; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.44 |
Times cited |
5 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.44; 2001 IF: 1.621 |
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| |
Call Number |
UA @ lucian @ c:irua:37276 |
Serial |
3727 |
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| Permanent link to this record |
