| Records |
| Author |
Hai, G.-Q.; Studart, N.; Peeters, F.M. |
| Title |
Polaron effects on cyclotron mass due to interface and slab phonons in GaAs/AlGaAs quantum wells |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Brazilian journal of physics |
Abbreviated Journal |
Braz J Phys |
| Volume |
26 |
Issue |
|
Pages |
219-221 |
Keywords  |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
São Paulo |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0103-9733 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
0.81 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
|
| Call Number |
UA @ lucian @ c:irua:15818 |
Serial |
2668 |
| Permanent link to this record |
| |
|
| |
| Author |
Brito, B.G.A.; Hai, G.-Q.; Teixeira Rabelo, J.N.; Cândido, L. |
| Title |
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4 – (M = Li, Na, K, Rb, Cu, Ag and Au) |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
16 |
Issue |
18 |
Pages |
8639-8645 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using fixed-node diffusion quantum Monte Carlo (FN-DMC) simulation we investigate the electron correlation in all-metal aromatic clusters MAl4- (with M = Li, Na, K, Rb, Cu, Ag and Au). The electron detachment energies and electron affinities of the clusters are obtained. The vertical electron detachment energies obtained from the FN-DMC calculations are in very good agreement with the available experimental results. Calculations are also performed within the Hartree-Fock approximation, density-functional theory (DFT), and the couple-cluster (CCSD(T)) method. From the obtained results, we analyse the impact of the electron correlation effects in these bimetallic clusters and find that the correlation of the valence electrons contributes significantly to the detachment energies and electron affinities, varying between 20% and 50% of their total values. Furthermore, we discuss the electron correlation effects on the stability of the clusters as well as the accuracy of the DFT and CCSD(T) calculations in the present systems. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000334602900052 |
Publication Date |
2014-03-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076;1463-9084; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
10 |
Open Access |
|
| Notes |
; This research was supported by CNPq, FAPESP and FAPEG (Brazil). ; |
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
| Call Number |
UA @ lucian @ c:irua:117247 |
Serial |
2781 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, Y.J.; Nichel, H.A.; McCombe, B.D.; Peeters, F.M.; Shi, J.M.; Hai, G.Q.; Wu, X.G.; Eustis, T.J.; Schaff, W. |
| Title |
Resonant magnetopolaron effect in GaAs/AlGaAs multiple quantum well structures |
Type |
A1 Journal article |
| Year |
1998 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
| Volume |
2 |
Issue |
|
Pages |
161-165 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000075383500034 |
Publication Date |
2002-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.221 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.221; 1998 IF: NA |
| Call Number |
UA @ lucian @ c:irua:24185 |
Serial |
2888 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, Y.J.; Nickel, H.A.; McCombe, B.D.; Peeters, F.M.; Shi, J.M.; Hai, G.Q.; Wu, X.G.; Eustis, T.J.; Schaff, W. |
| Title |
Resonant magnetopolaron effects due to interface phonons in GaAs/AlGaAs multiple quantum well structures |
Type |
A1 Journal article |
| Year |
1997 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
| Volume |
79 |
Issue |
|
Pages |
3226-3229 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1997YC78200033 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.462 |
Times cited |
36 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 8.462; 1997 IF: 6.140 |
| Call Number |
UA @ lucian @ c:irua:19278 |
Serial |
2889 |
| Permanent link to this record |
| |
|
| |
| Author |
Villegas, C.E.P.; Tavares, M.R.S.; Hai, G.-Q.; Peeters, F.M. |
| Title |
Sorting the modes contributing to guidance in strain-induced graphene waveguides |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
| Volume |
15 |
Issue |
|
Pages |
023015-11 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We propose a simple way of probing the number of modes contributing to the channeling in graphene waveguides which are formed by a gauge potential produced by mechanical strain. The energy mode structure for both homogeneous and non-homogeneous strain regimes is carefully studied using the continuum description of the Dirac equation. We found that high strain values privilege negative (instead of positive) group velocities throughout the guidance, sorting the types of modes flowing through it. We also show how the effect of a substrate-induced gap competes against the strain. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000314868000002 |
Publication Date |
2013-02-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.786 |
Times cited |
7 |
Open Access |
|
| Notes |
; This work was supported by FAPESP, CNPq and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.786; 2013 IF: 3.671 |
| Call Number |
UA @ lucian @ c:irua:107667 |
Serial |
3056 |
| Permanent link to this record |
| |
|
| |
| Author |
Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Hai, G.-Q.; Peeters, F.M. |
| Title |
Spin- and valley-dependent commensurability oscillations and electric-field-induced quantum Hall plateaux in periodically modulated silicene |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
104 |
Issue |
21 |
Pages |
213109 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the commensurability oscillations in silicene subject to a perpendicular electric field E-z, a weak magnetic field B, and a weak periodic potential V = V-0 cos(Cy); C = 2 pi/a(0) with a(0) its period. The field E-z and/or the modulation lift the spin degeneracy of the Landau levels and lead to spin and valley resolved Weiss oscillations. The spin resolution is maximal when the field E-z is replaced by a periodic one E-z = E-0 cos(Dy); D = 2 pi/b(0), while the valley one is maximal for b(0) = a(0). In certain ranges of B values, the current is fully spin or valley polarized. Additional quantum Hall conductivity plateaux arise due to spin and valley intra-Landau-level transitions. (C) 2014 AIP Publishing LLC. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000337143000047 |
Publication Date |
2014-05-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
16 |
Open Access |
|
| Notes |
; The work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. Also, G. Q. H. was supported by FAPESP and CNPq (Brazil). ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| Call Number |
UA @ lucian @ c:irua:118409 |
Serial |
3078 |
| Permanent link to this record |
| |
|
| |
| Author |
Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M. |
| Title |
Two vertically coupled quantum rings with tunneling |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Brazilian journal of physics |
Abbreviated Journal |
Braz J Phys |
| Volume |
36 |
Issue |
3b |
Pages |
936-939 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
São Paulo |
Editor |
|
| Language |
|
Wos |
000242535600036 |
Publication Date |
2006-12-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0103-9733; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.732 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 0.732; 2006 IF: 0.494 |
| Call Number |
UA @ lucian @ c:irua:62133 |
Serial |
3788 |
| Permanent link to this record |
| |
|
| |
| Author |
Wu, Z.; Zhai, F.; Peeters, F.M.; Xu, H.Q.; Chang, K. |
| Title |
Valley-dependent brewster angles and Goos-Hänchen effect in strained graphene |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
| Volume |
106 |
Issue |
17 |
Pages |
176802,1-176802,4 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We demonstrate theoretically how local strains in graphene can be tailored to generate a valley-polarized current. By suitable engineering of local strain profiles, we find that electrons in opposite valleys (K or K′) show different Brewster-like angles and Goos-Hänchen shifts, exhibiting a close analogy with light propagating behavior. In a strain-induced waveguide, electrons in K and K′ valleys have different group velocities, which can be used to construct a valley filter in graphene without the need for any external fields. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000290100300016 |
Publication Date |
2011-04-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.462 |
Times cited |
235 |
Open Access |
|
| Notes |
; This work was supported by the NSF of China and the MOST, the Swedish International Development Cooperation Agency (SIDA), and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 8.462; 2011 IF: 7.370 |
| Call Number |
UA @ lucian @ c:irua:89715 |
Serial |
3832 |
| Permanent link to this record |
| |
|
| |
| Author |
Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M. |
| Title |
Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
92 |
Issue |
92 |
Pages |
195416 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000368095400004 |
Publication Date |
2015-11-13 |
| 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 |
22 |
Open Access |
|
| Notes |
; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
| Call Number |
UA @ lucian @ c:irua:131144 |
Serial |
4232 |
| Permanent link to this record |
| |
|
| |
| Author |
Madan, I.; Kusar, P.; Baranov, V.V.; Lu-Dac, M.; Kabanov, V.V.; Mertelj, T.; Mihailovic, D. |
| Title |
Real-time measurement of the emergence of superconducting order in a high-temperature superconductor |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
93 |
Issue |
22 |
Pages |
224520 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Systems which rapidly evolve through symmetry-breaking transitions on timescales comparable to the fluctuation timescale of the single-particle excitations may behave very differently than under controlled near-ergodic conditions. A real-time investigation with high temporal resolution may reveal insights into the ordering through the transition that are not available in static experiments. We present an investigation of the system trajectory through a normal-to-superconductor transition in a prototype high-temperature superconducting cuprate in which such a situation occurs. Using a multiple pulse femtosecond spectroscopy technique we measure the system trajectory and time evolution of the single-particle excitations through the transition in La1.9Sr0.1CuO4 and compare the data to a simulation based on the time-dependent Ginzburg-Landau theory, using the laser excitation fluence as an adjustable parameter controlling the quench conditions in both experiment and theory. The comparison reveals the presence of significant superconducting fluctuations which precede the transition on short timescales. By including superconducting fluctuations as a seed for the growth of the superconducting order we can obtain a satisfactory agreement of the theory with the experiment. Remarkably, the pseudogap excitations apparently play no role in this process. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000378815800003 |
Publication Date |
2016-07-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
| Notes |
; We wish to acknowledge the useful discussion with T. W. Kibble regarding the importance of a variable quench rate in the experiment. The funding was provided by European Research Council advanced grant TRAJECTORY. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:144701 |
Serial |
4683 |
| Permanent link to this record |
| |
|
| |
| Author |
Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M. |
| Title |
Electron pairing: from metastable electron pair to bipolaron |
Type |
A1 Journal article |
| Year |
2018 |
Publication |
Journal of physics communications |
Abbreviated Journal |
|
| Volume |
2 |
Issue |
3 |
Pages |
Unsp 035017 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000434996900022 |
Publication Date |
2018-02-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2399-6528 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
9 |
Open Access |
|
| Notes |
; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 |
Serial |
5022 |
| Permanent link to this record |
| |
|
| |
| Author |
Zou, Y.-C.; Mogg, L.; Clark, N.; Bacaksiz, C.; Milanovic, S.; Sreepal, V.; Hao, G.-P.; Wang, Y.-C.; Hopkinson, D.G.; Gorbachev, R.; Shaw, S.; Novoselov, K.S.; Raveendran-Nair, R.; Peeters, F.M.; Lozada-Hidalgo, M.; Haigh, S.J. |
| Title |
Ion exchange in atomically thin clays and micas |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Nature Materials |
Abbreviated Journal |
Nat Mater |
| Volume |
20 |
Issue |
12 |
Pages |
1677-1682 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The physical properties of clays and micas can be controlled by exchanging ions in the crystal lattice. Atomically thin materials can have superior properties in a range of membrane applications, yet the ion-exchange process itself remains largely unexplored in few-layer crystals. Here we use atomic-resolution scanning transmission electron microscopy to study the dynamics of ion exchange and reveal individual ion binding sites in atomically thin and artificially restacked clays and micas. We find that the ion diffusion coefficient for the interlayer space of atomically thin samples is up to 10(4) times larger than in bulk crystals and approaches its value in free water. Samples where no bulk exchange is expected display fast exchange at restacked interfaces, where the exchanged ions arrange in islands with dimensions controlled by the moire superlattice dimensions. We attribute the fast ion diffusion to enhanced interlayer expandability resulting from weaker interlayer binding forces in both atomically thin and restacked materials. This work provides atomic scale insights into ion diffusion in highly confined spaces and suggests strategies to design exfoliated clay membranes with enhanced performance. Layered clays are of interest for membranes and many other applications but their ion-exchange dynamics remain unexplored in atomically thin materials. Here, using electron microscopy, it is found that the ion diffusion for few-layer two-dimensional clays approaches that of free water and that superlattice cation islands can form in twisted and restacked materials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000689664000001 |
Publication Date |
2021-09-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1476-1122; 1476-4660 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
39.737 |
Times cited |
2 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 39.737 |
| Call Number |
UA @ admin @ c:irua:181691 |
Serial |
6999 |
| Permanent link to this record |
| |
|
| |
| Author |
Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. |
| Title |
Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
ACS applied electronic materials |
Abbreviated Journal |
|
| Volume |
5 |
Issue |
11 |
Pages |
5852-5863 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
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Place of Publication |
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Editor |
|
| Language |
|
Wos |
001096792500001 |
Publication Date |
2023-10-26 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2637-6113 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:201198 |
Serial |
9026 |
| Permanent link to this record |
| |
|
| |
| Author |
Qurashi, A.; Rather, J.A.; Yamazaki, T.; Sohail, M.; De Wael, K.; Merzougui, B.; Hakeem, A.S. |
| Title |
Swift electrochemical detection of paraben an endocrine disruptor by In2O3 nanobricks |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
Sensor Actuat B-Chem |
| Volume |
221 |
Issue |
|
Pages |
167-171 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Novel indium oxide (In2O3) nanobricks have been prepared by template-less and surfactant-free hydrothermal synthesis method and were characterized by X-ray diffraction (XRD), Raman spectroscopy, photoluminescence (PL) spectroscopy and field emission scanning electronic microscopy (FESEM). The synthesized In2O3 nanobricks were successfully immobilized on the surface of glassy carbon electrode for the detection of Parabens (butylparaben). Owing to the unique structure and intriguing properties of these In2O3 nanobricks, the nanostructured thin-film electrode has shown an obvious electrocatalytic activity for the detection of butylparaben (BP). The detection limit (LOD) was estimated as 3 s/m and the sensitivity (LOQ) was calculated as 10 s/m and were found to be 0.08 μM and 0.26 μA μM−1 cm−2 respectively. This sensor showed high sensitivity compared with the reported electrochemical sensors for the detection of BP. The fabricated sensor was successfully applied for the detection of butyl paraben in real cosmetic samples with good recovery ranging from 96.0 to 100.3%. |
| 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 |
000362918100021 |
Publication Date |
2015-06-23 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-4005 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
5.401 |
Times cited |
11 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 5.401; 2015 IF: 4.097 |
| Call Number |
UA @ admin @ c:irua:127463 |
Serial |
5859 |
| Permanent link to this record |
| |
|
| |
| Author |
Stroobants, N.; Dehairs, F.; Goeyens, L.; Vanderheijden, N.; Van Grieken, R. |
| Title |
Barite formation in the Southern Ocean water column |
Type |
A1 Journal article |
| Year |
1991 |
Publication |
Marine chemistry |
Abbreviated Journal |
|
| Volume |
35 |
Issue |
|
Pages |
411-421 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| 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 |
A1991GZ58500031 |
Publication Date |
2009-09-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-4203; 1872-7581 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:664 |
Serial |
7550 |
| Permanent link to this record |
| |
|
| |
| Author |
Belikov, K.N.; Mikhailova, L.I.; Spolnik, Z.M.; Van Grieken, R. |
| Title |
EDXRF determination of impurities in potassium dihydrogenphosphate single crystals and raw materials |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
| Volume |
35 |
Issue |
2 |
Pages |
112-115 |
| Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
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Editor |
|
| Language |
|
Wos |
000236405500005 |
Publication Date |
2005-10-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:56727 |
Serial |
7835 |
| Permanent link to this record |
