Records |
Author |
Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. |
Title |
High-throughput analysis of tetragonal transition metal Xenes |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
24 |
Issue |
48 |
Pages |
29406-29412 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures. |
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 |
000892446100001 |
Publication Date |
2022-11-30 |
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 |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.3 |
Times cited |
1 |
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 3.3 |
Call Number |
UA @ admin @ c:irua:192762 |
Serial |
7310 |
Permanent link to this record |
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Author |
Duran, T.A.; Šabani, D.; Milošević, M.V.; Sahin, H. |
Title |
Experimental and theoretical investigation of synthesis and properties of dodecanethiol-functionalized MoS₂ |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
|
Volume |
25 |
Issue |
40 |
Pages |
27141-27150 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Herein, we investigate the DDT (1-dodecanethiol) functionalization of exfoliated MoS2 by using experimental and theoretical tools. For the functionalization of MoS2, DDT treatment was incorporated into the conventional NMP (N-methyl pyrrolidone) exfoliation procedure. Afterward, it has been demonstrated that the functionalization process is successful through optical, morphological and theoretical analysis. The D, G and 2LA peaks seen in the Raman spectrum of exfoliated NMP-MoS2 particles, indicate the formation of graphitic species on MoS2 sheets. In addition, as the DDT ratio increases, the vacant sites on MoS2 sheets diminish. Moreover, at an optimized ratio of DDT-NMP, the maximum number of graphitic quantum dots (GQDs) is observed on MoS2 nanosheets. Specifically, the STEM and AFM data confirm that GQDs reside on the MoS2 nano-sheets and also that the particle size of the DDT-MoS2 is mostly fixed, while the NMP-MoS2 show many smaller and distributed sizes. The comparison of PL intensities of the NMP-MoS2 and DDT-MoS2 samples states a 10-fold increment is visible, and a 60-fold increment in NIR region photoluminescent properties. Moreover, our results lay out understanding and perceptions on the surface and edge chemistry of exfoliated MoS2 and open up more opportunities for MoS2 and GQD particles with broader applications. |
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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 |
001076998800001 |
Publication Date |
2023-09-29 |
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 |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.3; 2023 IF: 4.123 |
Call Number |
UA @ admin @ c:irua:200284 |
Serial |
9033 |
Permanent link to this record |
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Author |
Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K. |
Title |
Interface thermal conductivities induced by van der Waals interactions |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
|
Volume |
26 |
Issue |
5 |
Pages |
4047-4051 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interface heat transfer of two layers induced by van der Waals (vdW) contacts is theoretically investigated, based on first-principles calculations at low temperatures. The results suggest that out-of-plane acoustic phonons with low frequencies dominate the interface thermal transport due to the vdW interaction. The interface thermal conductivity is proportional to the cubic of temperature at very low temperatures, but becomes linearly proportional to temperature as temperature increases. We show that manipulating the strain alters vdW coupling, leading to increased interfacial thermal conductivity at the interface. Our findings provide valuable insights into the interface heat transport in vdW heterostructures and support further design and optimization of electronic and optoelectronic nanodevices based on vdW contacts. The heat transfer induced by van der Waals contacts is dominated by ZA phonons. The interface thermal conductivity is proportional to the cubic of temperature, but becomes linearly proportional to temperature as temperature increases. |
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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 |
001142323400001 |
Publication Date |
2024-01-09 |
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 |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.3 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 4.123 |
Call Number |
UA @ admin @ c:irua:202795 |
Serial |
9050 |
Permanent link to this record |
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Author |
Gogoi, A.; Neyts, E.C.; Peeters, F.M. |
Title |
Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH- ions |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
|
Volume |
26 |
Issue |
13 |
Pages |
10265-10272 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Modelling and Simulation in Chemistry (MOSAIC) |
Abstract |
Graphene oxide (GO) is one of the most promising candidates for next generation of atomically thin membranes. Nevertheless, one of the major issues for real world application of GO membranes is their undesirable swelling in an aqueous environment. Recently, we demonstrated that generation of H3O+ and OH- ions (e.g., with an external electric field) in the interlayer gallery could impart aqueous stability to the layered GO membranes (A. Gogoi, ACS Appl. Mater. Interfaces, 2022, 14, 34946). This, however, compromises the water flux through the membrane. In this study, we report on reducing the GO nanosheets as a solution to this issue. With the reduction of the GO nanosheets, the water flux through the layered GO membrane initially increases and then decreases again beyond a certain degree of reduction. Here, two key factors are at play. Firstly, the instability of the H-bond network between water molecules and the GO nanosheets, which increases the water flux. Secondly, the pore size reduction in the interlayer gallery of the membranes, which decreases the water flux. We also observe a significant improvement in the salt rejection of the membranes, due to the dissociation of water molecules in the interlayer gallery. In particular, for the case of 10% water dissociation, the water flux through the membranes can be enhanced without altering its selectivity. This is an encouraging observation as it breaks the traditional tradeoff between water flux and salt rejection of a membrane. |
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 |
001186465400001 |
Publication Date |
2024-03-15 |
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 |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 4.123 |
Call Number |
UA @ admin @ c:irua:204792 |
Serial |
9168 |
Permanent link to this record |
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|
Author |
Shanenko, A.A.; Croitoru, M.D.; Vagov, A.V.; Axt, V.M.; Perali, A.; Peeters, F.M. |
Title |
Atypical BCS-BEC crossover induced by quantum-size effects |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
86 |
Issue |
3 |
Pages |
033612 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Quantum-size oscillations of the basic physical characteristics of a confined fermionic condensate are a well-known phenomenon. Its conventional understanding is based on the single-particle physics, whereby the oscillations follow variations in the single-particle density of states driven by the size quantization. Here we present a study of a cigar-shaped ultracold superfluid Fermi gas, which demonstrates an important many-body aspect of the quantum-size coherent effects, overlooked previously. The many-body physics is revealed here in the atypical crossover from the Bardeen-Cooper-Schrieffer (BCS) superfluid to the Bose-Einstein condensate (BEC) induced by the size quantization of the particle motion. The single-particle energy spectrum for the transverse dimensions is tightly bound, whereas for the longitudinal direction it resembles a quasi-free dispersion. This results in the formation of a series of single-particle subbands (shells) so that the aggregate fermionic condensate becomes a coherent mixture of subband condensates. Each time when the lower edge of a subband crosses the chemical potential, the BCS-BEC crossover is approached in this subband, and the aggregate condensate contains both BCS and BEC-like components. |
Address |
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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 |
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Wos |
000308639500004 |
Publication Date |
2012-09-15 |
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 |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
34 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). The authors thank C. Salomon and C. Vale for their valuable explications of the experimental situation and interest to our work. We are grateful to G. C. Strinati, D. Neilson, and P. Pieri for useful discussions. M. D. C. acknowledges support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). A. P. gratefully acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 4844 for his visit to the University of Antwerp. A. A. S. acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 5200 for his visit to the University of Camerino. ; |
Approved |
Most recent IF: 2.925; 2012 IF: 3.042 |
Call Number |
UA @ lucian @ c:irua:101844 |
Serial |
203 |
Permanent link to this record |
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Author |
Dantas, D.S.; Lima, A.R.P.; Chaves, A.; Almeida, C.A.S.; Farias, G.A.; Milošević, M.V. |
Title |
Bound vortex states and exotic lattices in multicomponent Bose-Einstein condensates : the role of vortex-vortex interaction |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
91 |
Issue |
91 |
Pages |
023630 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We numerically study the vortex-vortex interaction in multicomponent homogeneous Bose-Einstein condensates within the realm of the Gross-Pitaevskii theory. We provide strong evidence that pairwise vortex interaction captures the underlying mechanisms which determine the geometric configuration of the vortices, such as different lattices in many-vortex states, as well as the bound vortex states with two (dimer) or three (trimer) vortices. Specifically, we discuss and apply our theoretical approach to investigate intra- and intercomponent vortex-vortex interactions in two- and three-component Bose-Einstein condensates, thereby shedding light on the formation of the exotic vortex configurations. These results correlate with current experimental efforts in multicomponent Bose-Einstein condensates and the understanding of the role of vortex interactions in multiband superconductors. |
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 |
000350255200014 |
Publication Date |
2015-02-27 |
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 |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
12 |
Open Access |
|
Notes |
; This work was supported by the National Council for Scientific and Technological Development (CNPq-Brazil), the Coordination for the Improvement of Higher Education Personnel (CAPES-Brazil), Research Foundation Flanders (FWO), and the bilateral FWO-CNPq program between Flanders and Brazil. M.V.M. acknowledges support from the CAPES-PVE program (Grant No. BEX1392/11-5). ; |
Approved |
Most recent IF: 2.925; 2015 IF: 2.808 |
Call Number |
c:irua:124907 |
Serial |
252 |
Permanent link to this record |
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Author |
Földi, P.; Benedict, M.G.; Peeters, F.M. |
Title |
Dynamics of periodic anticrossings: decoherence, pointer states, and hysteresis curves |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
77 |
Issue |
1 |
Pages |
013406,1-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
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Wos |
000252862000122 |
Publication Date |
2008-01-16 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
10 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.925; 2008 IF: 2.908 |
Call Number |
UA @ lucian @ c:irua:67890 |
Serial |
781 |
Permanent link to this record |
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Author |
Kuopanportti, P.; Orlova, N.V.; Milošević, M.V. |
Title |
Ground-state multiquantum vortices in rotating two-species superfluids |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
91 |
Issue |
91 |
Pages |
043605 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We show numerically that a rotating, harmonically trapped mixture of two Bose-Einstein-condensed superfluids cancontrary to its single-species counterpartcontain a multiply quantized vortex in the ground state of the system. This giant vortex can occur without any accompanying single-quantum vortices, may either be coreless or have an empty core, and can be realized in a Rb87−K41 Bose-Einstein condensate. Our results not only provide a rare example of a stable, solitary multiquantum vortex but also reveal exotic physics stemming from the coexistence of multiple, compositionally distinct condensates in one system. |
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 |
000352255200005 |
Publication Date |
2015-04-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
25 |
Open Access |
|
Notes |
; This work was supported by the Finnish Cultural Foundation, the Research Foundation – Flanders (FWO), and the Magnus Ehrnrooth Foundation. We thank E. Ruokokoski and T. P. Simula for valuable comments and discussions. ; |
Approved |
Most recent IF: 2.925; 2015 IF: 2.808 |
Call Number |
c:irua:124906 |
Serial |
1388 |
Permanent link to this record |
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Author |
Shanenko, A.A. |
Title |
Imperfect fermi gas : kinetic and interaction energies |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
70 |
Issue |
6 |
Pages |
063618-13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A uniform ground-state three-dimensional Fermi gas with short-range repulsive pairwise interaction is under consideration. Its kinetic and interaction energies are calculated up to the second order of the expansion in the gas parameter. Similar to recent results for an interacting Bose gas, the quantities in question are found to depend on the pairwise interaction through two characteristic lengths: the former, a, is the s-wave scattering length, and the latter, b, is related to a by b=a-m(partial derivativea/partial derivativem), where m stands for the fermion mass. To control the results, we proceed in two independent ways. The first involves the Hellmann-Feynman theorem applied to derive the kinetic and interaction energies from the total-energy expansion in the gas parameter first found by Huang and Yang. The second way operates with in-medium pair wave functions and allows one to calculate the quantities of interest “from scratch.” The results of the present investigation, taken together with those of the recent consideration of a dilute Bose gas, make it possible to conclude that the pairwise interaction in a quantum gas has an essential and nontrivial effect on the kinetic energy, which is not the case for a classical many-particle system. |
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 |
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Wos |
000226418900116 |
Publication Date |
2004-12-22 |
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 |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.925 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.925; 2004 IF: 2.902 |
Call Number |
UA @ lucian @ c:irua:103196 |
Serial |
1562 |
Permanent link to this record |
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Author |
Van Boxem, R.; Partoens, B.; Verbeeck, J. |
Title |
Inelastic electron-vortex-beam scattering |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
91 |
Issue |
91 |
Pages |
032703 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
Recent theoretical and experimental developments in the field of electron-vortex-beam physics have raised questions about what exactly this novelty in the field of electron microscopy (and other fields, such as particle physics) really provides. An important part of the answer to these questions lies in scattering theory. The present investigation explores various aspects of inelastic quantum scattering theory for cylindrically symmetric beams with orbital angular momentum. The model system of Coulomb scattering on a hydrogen atom provides the setting to address various open questions: How is momentum transferred? Do vortex beams selectively excite atoms, and how can one employ vortex beams to detect magnetic transitions? The analytical approach presented here provides answers to these questions. OAM transfer is possible, but not through selective excitation; rather, by pre- and postselection one can filter out the relevant contributions to a specific signal. |
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 |
000351035000004 |
Publication Date |
2015-03-16 |
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 |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
31 |
Open Access |
|
Notes |
Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.925; 2015 IF: 2.808 |
Call Number |
c:irua:123925 c:irua:123925UA @ admin @ c:irua:123925 |
Serial |
1607 |
Permanent link to this record |
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Author |
Guzzinati, G.; Clark, L.; Béché, A.; Verbeeck, J. |
Title |
Measuring the orbital angular momentum of electron beams |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
89 |
Issue |
|
Pages |
025803 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The recent demonstration of electron vortex beams has opened up the new possibility of studying orbital angular momentum (OAM) in the interaction between electron beams and matter. To this aim, methods to analyze the OAM of an electron beam are fundamentally important and a necessary next step. We demonstrate the measurement of electron beam OAM through a variety of techniques. The use of forked holographic masks, diffraction from geometric apertures, and diffraction from a knife edge and the application of an astigmatic lens are all experimentally demonstrated. The viability and limitations of each are discussed with supporting numerical simulations. |
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 |
000332224100014 |
Publication Date |
2014-02-13 |
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 |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
42 |
Open Access |
|
Notes |
Vortex; FP7; Countatoms; ESTEEM2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.925; 2014 IF: 2.808 |
Call Number |
UA @ lucian @ c:irua:114577UA @ admin @ c:irua:114577 |
Serial |
1972 |
Permanent link to this record |
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Author |
Bogaerts, A.; Gijbels, R. |
Title |
Modeling of metastable argon atoms in a direct current glow discharge |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
52 |
Issue |
|
Pages |
3743-3751 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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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 |
A1995TE17300053 |
Publication Date |
2002-07-27 |
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 |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.808 |
Times cited |
98 |
Open Access |
|
Notes |
|
Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
Call Number |
UA @ lucian @ c:irua:12263 |
Serial |
2129 |
Permanent link to this record |
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Author |
Clark, L.; Béché, A.; Guzzinati, G.; Verbeeck, J. |
Title |
Quantitative measurement of orbital angular momentum in electron microscopy |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
89 |
Issue |
5 |
Pages |
053818 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Electron vortex beams have been predicted to enable atomic scale magnetic information measurement, via transfer of orbital angular momentum. Research so far has focused on developing production techniques and applications of these beams. However, methods to measure the outgoing orbital angular momentum distribution are also a crucial requirement towards this goal. Here, we use a method to obtain the orbital angular momentum decomposition of an electron beam, using a multipinhole interferometer. We demonstrate both its ability to accurately measure orbital angular momentum distribution, and its experimental limitations when used in a transmission electron microscope. |
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 |
|
Language |
|
Wos |
000335826300012 |
Publication Date |
2014-05-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
23 |
Open Access |
|
Notes |
7th Framework Program (FP7); ERC Starting Grant No. 278510- VORTEX 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). 7th Framework Program (FP7), ERC Grant No. 246791- COUNTATOMS. SP – 053818-1; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.925; 2014 IF: 2.808 |
Call Number |
UA @ lucian @ c:irua:117093UA @ admin @ c:irua:117093 |
Serial |
2758 |
Permanent link to this record |
|
|
|
Author |
Van Boxem, R.; Partoens, B.; Verbeeck, J. |
Title |
Rutherford scattering of electron vortices |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
89 |
Issue |
3 |
Pages |
032715-32719 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
By considering a cylindrically symmetric generalization of a plane wave, the first-order Born approximation of screened Coulomb scattering unfolds two new dimensions in the scattering problem: transverse momentum and orbital angular momentum of the incoming beam. In this paper, the elastic Coulomb scattering amplitude is calculated analytically for incoming Bessel beams. This reveals novel features occurring for wide-angle scattering and quantitative insights for small-angle vortex scattering. The result successfully generalizes the well-known Rutherford formula, incorporating transverse and orbital angular momentum into the formalism. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000333690500008 |
Publication Date |
2014-03-31 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
34 |
Open Access |
|
Notes |
312483-Esteem2; N246791 – Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; |
Approved |
Most recent IF: 2.925; 2014 IF: 2.808 |
Call Number |
UA @ lucian @ c:irua:115562UA @ admin @ c:irua:115562 |
Serial |
2936 |
Permanent link to this record |
|
|
|
Author |
Matulis, A.; Masir, M.R.; Peeters, F.M. |
Title |
Scattering of a Dirac electron on a mass barrier |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
86 |
Issue |
2 |
Pages |
022101 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The interaction of a wave packet (and in particular the wave front) with a mass barrier is investigated in one dimension. We discuss the main features of the wave packet that are inherent to two-dimensional wave packets, such as compression during reflection, penetration in the case when the energy is lower than the height of the barrier, waving tails, precursors, and the retardation of the reflected and penetrated wave packets. These features depend on the wave-packet envelope function which we demonstrate by considering the case of a rectangular wave packet with sharp front and trailing edges and a smooth Gaussian wave packet. The method of Fourier integral for obtaining the nonstationary solutions is used. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000306991200001 |
Publication Date |
2012-08-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
9 |
Open Access |
|
Notes |
; This research was supported by the Flemish Science Foundation (FWO-Vl) and (in part) by the Lithuanian Science Council under Project No. MIP-79/2010. ; |
Approved |
Most recent IF: 2.925; 2012 IF: 3.042 |
Call Number |
UA @ lucian @ c:irua:100822 |
Serial |
2948 |
Permanent link to this record |
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|
|
Author |
Lubk, A.; Clark, L.; Guzzinati, G.; Verbeeck, J. |
Title |
Topological analysis of paraxially scattered electron vortex beams |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
87 |
Issue |
3 |
Pages |
033834-33838 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We investigate topological aspects of subnanometer electron vortex beams upon elastic propagation through atomic scattering potentials. Two main aspects can be distinguished: (i) significantly reduced delocalization compared to a similar nonvortex beam if the beam centers on an atomic column and (ii) site symmetry dependent splitting of higher-order vortex beams. Furthermore, the results provide insight into the complex vortex line fabric within the elastically scattered wave containing characteristic vortex loops predominantly attached to atomic columns and characteristic twists of vortex lines around atomic columns. DOI: 10.1103/PhysRevA.87.033834 |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
Language |
|
Wos |
000316790600011 |
Publication Date |
2013-03-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
26 |
Open Access |
|
Notes |
Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.925; 2013 IF: 2.991 |
Call Number |
UA @ lucian @ c:irua:108496 |
Serial |
3673 |
Permanent link to this record |
|
|
|
Author |
Geurts, R.; Milošević, M.V.; Peeters, F.M. |
Title |
Topologically trapped vortex molecules in Bose-Einstein condensates |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
78 |
Issue |
5 |
Pages |
053610,1-053610,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In a numerical experiment based on Gross-Pitaevskii formalism, we demonstrate unique topological quantum coherence in optically trapped Bose-Einstein condensates (BECs). Exploring the fact that vortices in a rotating BEC can be pinned by a geometric arrangement of laser beams, we show the parameter range in which vortex-antivortex molecules or multiquantum vortices are formed as a consequence of the optically imposed symmetry. Being low-energy states, we discuss the conditions for spontaneous nucleation of these unique molecules and their direct experimental observation, and provoke the potential use of the phase print of an antivortex or a multiquantum vortex when realized in unconventional circumstances. |
Address |
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Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000261215600127 |
Publication Date |
2008-11-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1050-2947;1094-1622; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
12 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.925; 2008 IF: 2.908 |
Call Number |
UA @ lucian @ c:irua:73184 |
Serial |
3679 |
Permanent link to this record |
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|
Author |
Hannibal, S.; Kettmann, P.; Croitoru, M.D.; Vagov, A.; Axt, V.M.; Kuhn, T. |
Title |
Quench dynamics of an ultracold Fermi gas in the BCS regime : spectral properties and confinement-induced breakdown of the Higgs mode |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : A : atomic, molecular and optical physics |
Abbreviated Journal |
Phys Rev A |
Volume |
91 |
Issue |
91 |
Pages |
043630 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The Higgs amplitude mode of the order parameter of an ultracold confined Fermi gas in the BCS regime after a quench of the coupling constant is analyzed theoretically. A characteristic feature is a damped oscillation which at a certain transition time changes into a rather irregular dynamics. We compare the numerical solution of the full set of nonlinear equations of motion for the normal and anomalous Bogoliubov quasiparticle excitations with a linearized approximation. In doing so the transition time as well as the difference between resonant systems, i.e., systems where the Fermi energy is close to a sub-band minimum, and off-resonant systems can be well understood and traced back to the system and geometry parameters. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000353448500005 |
Publication Date |
2015-04-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1094-1622; 1050-2947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.925 |
Times cited |
10 |
Open Access |
|
Notes |
; M.D.C. acknowledges support by the BELSPO Back to Belgium Grant. ; |
Approved |
Most recent IF: 2.925; 2015 IF: NA |
Call Number |
UA @ lucian @ c:irua:132509 |
Serial |
4235 |
Permanent link to this record |
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|
Author |
Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V. |
Title |
0 and π phase Josephson coupling through an insulating barrier with magnetic impurities |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
74 |
Issue |
2 |
Pages |
020502 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000239426600010 |
Publication Date |
2006-07-15 |
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 |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 |
Serial |
1 |
Permanent link to this record |
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|
|
Author |
Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M. |
Title |
30-band k\cdot p model of electron and hole states in silicon quantum wells |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
20 |
Pages |
205306 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states. |
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 |
000327161500007 |
Publication Date |
2013-11-20 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
Notes |
; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:112704 |
Serial |
18 |
Permanent link to this record |
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|
Author |
Farias, G.A.; da Costa, W.B.; Peeters, F.M. |
Title |
Acoustical polarons and bipolarons in two dimensions |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
54 |
Issue |
|
Pages |
12835-12840 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
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 |
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Wos |
A1996VT68200039 |
Publication Date |
2002-07-27 |
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 |
|
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.736 |
Times cited |
30 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:15790 |
Serial |
54 |
Permanent link to this record |
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|
Author |
García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G. |
Title |
Adatoms and Anderson localization in graphene |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
90 |
Issue |
8 |
Pages |
085425 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene. |
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 |
000341238600004 |
Publication Date |
2014-08-22 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
|
Notes |
; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:119258 |
Serial |
57 |
Permanent link to this record |
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|
|
Author |
Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title |
Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085444-85448 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface. |
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 |
|
Language |
|
Wos |
000315482900007 |
Publication Date |
2013-02-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
169 |
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. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107071 |
Serial |
60 |
Permanent link to this record |
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|
|
Author |
Sahin, H.; Peeters, F.M. |
Title |
Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
8 |
Pages |
085423-85429 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale. DOI: 10.1103/PhysRevB.87.085423 |
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 |
|
Wos |
000315146500008 |
Publication Date |
2013-02-19 |
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 |
281 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107663 |
Serial |
62 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue |
|
Pages |
125416,1-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000254543000133 |
Publication Date |
2008-03-18 |
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 |
1392 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. |
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:69634 |
Serial |
67 |
Permanent link to this record |
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Author |
Vasilopoulos, P.; Kálmán, O.; Peeters, F.M.; Benedict, M.G. |
Title |
Aharonov-Bohm oscillations in a mesoscopic ring with asymmetric arm-dependent injection |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
75 |
Issue |
3 |
Pages |
035304,1-7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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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 |
000243895400086 |
Publication Date |
2007-01-05 |
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 |
Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
Call Number |
UA @ lucian @ c:irua:63751 |
Serial |
86 |
Permanent link to this record |
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Author |
Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B. |
Title |
All-electrical control of quantum gates for single heavy-hole spin qubits |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
19 |
Pages |
195307-195312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation applications. |
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 |
000319252200003 |
Publication Date |
2013-05-21 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
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Notes |
; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109002 |
Serial |
88 |
Permanent link to this record |
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Author |
De Meulenaere, P.; Rodewald, M.; Van Tendeloo, G. |
Title |
Anisotropic cluster model for the short-range order in Cu1-xPdx-type alloys |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
57 |
Issue |
18 |
Pages |
11132-11140 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The split diffuse maxima around the {110} and {100} positions in the diffraction pattern of short-range-ordered Cu1-xPdx alloys (x=0.10...0.60) are attributed to small atomic clusters, being part of the underlying fee lattice. By analyzing the reciprocal space geometry, our cluster method identifies two prominent cluster types: the tetrahedron of nearest neighbors and a linear three-points cluster along the [110] directions. Since both cluster types contain different information on the same nearest-neighbor correlations, local anisotropy has to be assumed. It is shown that the three interatomic pair interactions within these basic clusters are sufficient to generate the spot splitting in the diffraction pattern. A ground-state analysis with these interactions reproduces the results of the anisotropic next-nearest-neighbor Ising model. |
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 |
000073585200026 |
Publication Date |
2002-07-27 |
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 |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 1998 IF: NA |
Call Number |
UA @ lucian @ c:irua:25678 |
Serial |
125 |
Permanent link to this record |
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Author |
Szafran, B.; Peeters, F.M.; Bednarek, S.; Adamowski, J. |
Title |
Anisotropic quantum dots: Correspondence between quantum and classical Wigner molecules, parity symmetry, and broken-symmetry states |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
69 |
Issue |
|
Pages |
125344,1-15 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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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 |
000221259000107 |
Publication Date |
2004-03-31 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
Call Number |
UA @ lucian @ c:irua:69384 |
Serial |
129 |
Permanent link to this record |
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Author |
Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. |
Title |
Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
16 |
Pages |
165409-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409 |
Address |
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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 |
000317195400007 |
Publication Date |
2013-04-05 |
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 |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
365 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:108471 |
Serial |
134 |
Permanent link to this record |