| Records |
| Author |
Ahmadkhani, S.; Alihosseini, M.; Ghasemi, S.; Ahmadabadi, I.; Hassani, N.; Peeters, F.M.; Neek-Amal, M. |
| Title |
Multiband flattening and linear Dirac band structure in graphene with impurities |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
107 |
Issue |
7 |
Pages |
075401-75408 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Flat bands in the energy spectrum have attracted a lot of attention in recent years because of their unique properties and promising applications. Special arrangement of impurities on monolayer graphene are proposed to generate multiflat bands in the electronic band structure. In addition to the single midgap states in the spectrum of graphene with low hydrogen density, we found closely spaced bands around the Fermi level with increasing impurity density, which are similar to discrete lines in the spectrum of quantum dots, as well as the unusual Landau-level energy spectrum of graphene in the presence of a strong magnetic field. The presence of flat bands crucially depends on whether or not there are odd or even electrons of H(F) atoms bound to graphene. Interestingly, we found that a fully hydrogenated (fluoridated) of a hexagon of graphene sheet with six hydrogen (fluorine) atoms sitting on top and bottom in consecutive order exhibits Dirac cones in the electronic band structure with a 20% smaller Fermi velocity as compared to the pristine graphene. Functionalizing graphene introduces various C-C bond lengths resulting in nonuniform strains. Such a nonuniform strain may induce a giant pseudomagnetic field in the system, resulting in quantum Hall effect. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000994364500006 |
Publication Date |
2023-02-02 |
| 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 |
| Impact Factor |
3.7 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 3.7; 2023 IF: 3.836 |
Call Number  |
UA @ admin @ c:irua:197431 |
Serial |
8822 |
| Permanent link to this record |
| |
|
| |
| Author |
Conti, S.; Chaves, A.; Pandey, T.; Covaci, L.; Peeters, F.M.; Neilson, D.; Milošević, M.V. |
| Title |
Flattening conduction and valence bands for interlayer excitons in a moire MoS₂/WSe₂ heterobilayer |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nanoscale |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
1-11 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
We explore the flatness of conduction and valence bands of interlayer excitons in MoS2/WSe2 van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model where the moire pattern from lattice mismatch and/or twisting is represented by an equivalent mesoscopic periodic potential. We demonstrate that the mismatch moire potential is too weak to produce significant flattening. Moreover, we draw attention to the fact that the quasi-particle effective masses around the Gamma-point and the band flattening are reduced with twisting. As an alternative approach, we show (i) that reducing the interlayer distance by uniform vertical pressure can significantly increase the effective mass of the moire hole, and (ii) that the moire depth and its band flattening effects are strongly enhanced by accessible electric gating fields perpendicular to the heterobilayer, with resulting electron and hole effective masses increased by more than an order of magnitude – leading to record-flat bands. These findings impose boundaries on the commonly generalized benefits of moire twistronics, while also revealing alternative feasible routes to achieve truly flat electron and hole bands to carry us to strongly correlated excitonic phenomena on demand. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001047512300001 |
Publication Date |
2023-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.7 |
Times cited |
1 |
Open Access |
Not_Open_Access: Available from 25.01.2024 |
| Notes |
|
Approved |
Most recent IF: 6.7; 2023 IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:198290 |
Serial |
8819 |
| Permanent link to this record |
| |
|
| |
| Author |
Pandey, T.; Peeters, F.M.; Milošević, M.V. |
| Title |
High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
33 |
Pages |
11185-11194 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001041124900001 |
Publication Date |
2023-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
6.4 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 6.4; 2023 IF: 5.256 |
| Call Number |
UA @ admin @ c:irua:198296 |
Serial |
8821 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, L.L.; Gillen, R.; Palummo, M.; Milošević, M.V.; Peeters, F.M. |
| Title |
Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂ heterobilayers |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Applied physics letters |
Abbreviated Journal |
|
| Volume |
123 |
Issue |
3 |
Pages |
033102-33106 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001033604700003 |
Publication Date |
2023-07-20 |
| 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 |
4 |
Times cited |
2 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 4; 2023 IF: 3.411 |
| Call Number |
UA @ admin @ c:irua:198382 |
Serial |
8823 |
| Permanent link to this record |
| |
|
| |
| Author |
Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A. |
| Title |
Tuning of exciton type by environmental screening |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
108 |
Issue |
11 |
Pages |
115303-115308 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001077758300002 |
Publication Date |
2023-09-08 |
| 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 |
| Impact Factor |
3.7 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2023 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:200356 |
Serial |
9110 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M. |
| Title |
Influence of neutron irradiation on X-ray diffraction, Raman spectrum and photoluminescence from pyrolytic and hot-pressed hexagonal boron nitride |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of luminescence |
Abbreviated Journal |
|
| Volume |
263 |
Issue |
|
Pages |
120118-8 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Hexagonal boron nitride (hBN) is considered as an ideal semiconductor material for solid-state neutron detector, owing to its large neutron scattering section because of the low atomic number of B and excellent physical properties. Here we study the influence of neutron irradiation on crystal structure and on intermediate energy state (IMES) levels induced by the presence of impurities and defects in hBN. Large-size and thick pyrolytic and hot-pressed hBN (PBN and HBN) samples, which can be directly applied for neutron detector devices, are prepared and bombarded by neutrons with different irradiation fluences. The SEM and TEM are used to observe the sample difference of PBN and HBN. X-ray diffraction and Raman spectroscopy are applied to examine the influence of neutron irradiation on lattice structures along different crystal directions of PBN and HBN samples. Photoluminescence (PL) is employed to study the effect of neutron irradiation on IMESs in these samples. We find that the neutron irradiation does not alter the in-plane lattice structures of both PBN and HBN samples, but it can release the inter-layer tensions induced by sample growth of the PBN samples. Interestingly and surprisingly, the neutron irradiation does not affect the IMES levels responsible for PL generation, where PL is attributed mainly from phonon-assisted radiative electron-hole coupling for both PBN and HBN samples. Furthermore, the results indicate that the neutron irradiation can weaken the effective carrier-phonon coupling and exciton transitions in PBN and HBN samples. Overall, both PBN and HBN samples show some degree of the resistance to neutron irradiation in terms of these basic physical properties. The interesting and important findings from this work can help us to gain an in-depth understanding of the influence of neutron irradiation on basic physical properties of hBN materials. These effects can be taken into account when designing and applying the hBN materials for neutron detectors. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001077086300001 |
Publication Date |
2023-08-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-2313 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.6 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.6; 2023 IF: 2.686 |
| Call Number |
UA @ admin @ c:irua:200393 |
Serial |
9047 |
| Permanent link to this record |
| |
|
| |
| Author |
Xiao, H.; Zhang, Z.; Xu, W.; Wang, Q.; Xiao, Y.; Ding, L.; Huang, J.; Li, H.; He, B.; Peeters, F.M. |
| Title |
Terahertz optoelectronic properties of synthetic single crystal diamond |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Diamond and related materials |
Abbreviated Journal |
|
| Volume |
139 |
Issue |
|
Pages |
110266-110268 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A systematic investigation is undertaken for studying the optoelectronic properties of single crystal diamond (SCD) grown by microwave plasma chemical vapor deposition (MPCVD). It is indicated that, without intentional doping and surface treatment during the sample growth, the terahertz (THz) optical conduction in SCD is mainly affected by surface H-terminations, -OH-, O- and N-based functional groups. By using THz time-domain spectroscopy (TDS), we measure the transmittance, the complex dielectric constant and optical conductivity σ(ω) of SCD. We find that SCD does not show typical semiconductor characteristics in THz regime, where σ(ω) cannot be described rightly by the conventional Drude formula. Via fitting the real and imaginary parts of σ(ω) to the Drude-Smith formula, the ratio of the average carrier density to the effective electron mass γ = ne/m*, the electronic relaxation time τ and the electronic backscattering or localization factor can be determined optically. The temperature dependence of these parameters is examined. From the temperature dependence of γ, a metallic to semiconductor transition is observed at about T = 10 K. The temperature dependence of τ is mainly induced by electron coupling with acoustic-phonons and there is a significant effect of photon-induced electron backscattering or localization in SCD. This work demonstrates that THz TDS is a powerful technique in studying SCD which contains H-, N- and O-based bonds and has low electron density and high dc resistivity. The results obtained from this study can benefit us to gain an in-depth understanding of SCD and may provide new guidance for the application of SCD as electronic, optical and optoelectronic materials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2023-08-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-9635 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
4.1 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.1; 2023 IF: 2.561 |
| Call Number |
UA @ admin @ c:irua:200920 |
Serial |
9103 |
| Permanent link to this record |
| |
|
| |
| Author |
Huang, S.; Griffin, E.; Cai, J.; Xin, B.; Tong, J.; Fu, Y.; Kravets, V.; Peeters, F.M.; Lozada-Hidalgo, M. |
| Title |
Gate-controlled suppression of light-driven proton transport through graphene electrodes |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nature communications |
Abbreviated Journal |
|
| Volume |
14 |
Issue |
1 |
Pages |
6932-6937 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Recent experiments demonstrated that proton transport through graphene electrodes can be accelerated by over an order of magnitude with low intensity illumination. Here we show that this photo-effect can be suppressed for a tuneable fraction of the infra-red spectrum by applying a voltage bias. Using photocurrent measurements and Raman spectroscopy, we show that such fraction can be selected by tuning the Fermi energy of electrons in graphene with a bias, a phenomenon controlled by Pauli blocking of photo-excited electrons. These findings demonstrate a dependence between graphene's electronic and proton transport properties and provide fundamental insights into molecularly thin electrode-electrolyte interfaces and their interaction with light. Recent experiments have shown that proton transport through graphene electrodes can be promoted by light, but the understanding of this phenomenon remains unclear. Here, the authors report the electrical tunability of this photo-effect, showing a connection between graphene electronic and proton transport properties. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001094448600003 |
Publication Date |
2023-10-31 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
16.6 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 16.6; 2023 IF: 12.124 |
| Call Number |
UA @ admin @ c:irua:201185 |
Serial |
9041 |
| Permanent link to this record |
| |
|
| |
| Author |
Xiang, F.; Gupta, A.; Chaves, A.; Krix, Z.E.; Watanabe, K.; Taniguchi, T.; Fuhrer, M.S.; Peeters, F.M.; Neilson, D.; Milošević, M.V.; Hamilton, A.R. |
| Title |
Intra-zero-energy Landau level crossings in bilayer graphene at high electric fields |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nano letters |
Abbreviated Journal |
|
| Volume |
23 |
Issue |
21 |
Pages |
9683-9689 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The highly tunable band structure of the zero-energy Landau level (zLL) of bilayer graphene makes it an ideal platform for engineering novel quantum states. However, the zero-energy Landau level at high electric fields has remained largely unexplored. Here we present magnetotransport measurements of bilayer graphene in high transverse electric fields. We observe previously undetected Landau level crossings at filling factors nu = -2, 1, and 3 at high electric fields. These crossings provide constraints for theoretical models of the zero-energy Landau level and show that the orbital, valley, and spin character of the quantum Hall states at high electric fields is very different from low electric fields. At high E, new transitions between states at nu = -2 with different orbital and spin polarization can be controlled by the gate bias, while the transitions between nu = 0 -> 1 and nu = 2 -> 3 show anomalous behavior. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001102148900001 |
Publication Date |
2023-10-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
10.8 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 10.8; 2023 IF: 12.712 |
| Call Number |
UA @ admin @ c:irua:201200 |
Serial |
9052 |
| Permanent link to this record |
| |
|
| |
| Author |
Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M. |
| Title |
A perspective on the state-of-the-art functionalized 2D materials |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
|
| Volume |
134 |
Issue |
12 |
Pages |
120901-120929 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
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| Language |
|
Wos |
001087770500008 |
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.2 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:201281 |
Serial |
9000 |
| Permanent link to this record |
| |
|
| |
| Author |
Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. |
| Title |
Chlorinated phosphorene for energy application |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
|
| Volume |
231 |
Issue |
|
Pages |
112625-112628 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001110003400001 |
Publication Date |
2023-11-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
| Call Number |
UA @ admin @ c:irua:202125 |
Serial |
9008 |
| Permanent link to this record |
| |
|
| |
| Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M. |
| Title |
Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
|
| Volume |
134 |
Issue |
22 |
Pages |
224301-224307 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001135684400003 |
Publication Date |
2023-12-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.2 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
| Call Number |
UA @ admin @ c:irua:202777 |
Serial |
9069 |
| Permanent link to this record |
| |
|
| |
| Author |
Wahab, O.J.; Daviddi, E.; Xin, B.; Sun, P.Z.; Griffin, E.; Colburn, A.W.; Barry, D.; Yagmurcukardes, M.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M.; Unwin, P.R. |
| Title |
Proton transport through nanoscale corrugations in two-dimensional crystals |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Nature |
Abbreviated Journal |
|
| Volume |
620 |
Issue |
7975 |
Pages |
1-17 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Defect-free graphene is impermeable to all atoms(1-5) and ions(6,7) under ambient conditions. Experiments that can resolve gas flows of a few atoms per hour through micrometre-sized membranes found that monocrystalline graphene is completely impermeable to helium, the smallest atom(2,5). Such membranes were also shown to be impermeable to all ions, including the smallest one, lithium(6,7). By contrast, graphene was reported to be highly permeable to protons, nuclei of hydrogen atoms(8,9). There is no consensus, however, either on the mechanism behind the unexpectedly high proton permeability(10-14) or even on whether it requires defects in graphene's crystal lattice(6,8,15-17). Here, using high-resolution scanning electrochemical cell microscopy, we show that, although proton permeation through mechanically exfoliated monolayers of graphene and hexagonal boron nitride cannot be attributed to any structural defects, nanoscale non-flatness of two-dimensional membranes greatly facilitates proton transport. The spatial distribution of proton currents visualized by scanning electrochemical cell microscopy reveals marked inhomogeneities that are strongly correlated with nanoscale wrinkles and other features where strain is accumulated. Our results highlight nanoscale morphology as an important parameter enabling proton transport through two-dimensional crystals, mostly considered and modelled as flat, and indicate that strain and curvature can be used as additional degrees of freedom to control the proton permeability of two-dimensional materials. A study using high-resolution scanning electrochemical cell microscopy attributes proton permeation through defect-free graphene and hexagonal boron nitride to transport across areas of the structure that are under strain. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001153630400007 |
Publication Date |
2023-08-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0028-0836; 1476-4687 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
64.8 |
Times cited |
17 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 64.8; 2023 IF: 40.137 |
| Call Number |
UA @ admin @ c:irua:203827 |
Serial |
9078 |
| Permanent link to this record |
| |
|
| |
| Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
| Title |
Tailoring weak and metallic phases in a strong topological insulator by strain and disorder : conductance fluctuations signatures |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
109 |
Issue |
4 |
Pages |
045129-7 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Transport measurements are readily used to probe different phases in disordered topological insulators (TIs), where determining topological invariants explicitly is challenging. On that note, universal conductance fluctuations (UCF) theory asserts the conductance G for an ensemble has a Gaussian distribution, and that standard deviation 8G depends solely on the symmetries and dimensions of the system. Using a real-space tight -binding Hamiltonian on a system with Anderson disorder, we explore conductance fluctuations in a thin Bi2Se3 film and demonstrate the agreement of their behavior with UCF hypotheses. We further show that magnetic field applied out-of-plane breaks the time -reversal symmetry and transforms the system's Wigner-Dyson class from root symplectic to unitary, increasing 8G by 2. Finally, we reveal that while Bi2Se3 is a strong TI, weak TI and metallic phases can be stabilized in presence of strain and disorder, and detected by monitoring the conductance fluctuations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001173938400008 |
Publication Date |
2024-01-16 |
| 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 |
3.7 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:204765 |
Serial |
9177 |
| Permanent link to this record |
| |
|
| |
| 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 |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001186465400001 |
Publication Date |
2024-03-15 |
| 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 |
| 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 |
| |
|
| |
| Author |
Zhou, S.; Zhang, C.; Xu, W.; Zhang, J.; Xiao, Y.; Ding, L.; Wen, H.; Cheng, X.; Hu, C.; Li, H.; Li, X.; Peeters, F.M. |
| Title |
Observation of temperature induced phase transitions in TiO superconducting thin film via infrared measurement |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Infrared physics and technology |
Abbreviated Journal |
|
| Volume |
137 |
Issue |
|
Pages |
105160-105169 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In contrast to conventional polycrystalline titanium oxide (TiO), it was found recently that the superconducting transition temperature Tc can be significantly enhanced from about 2 K to 7.4 K in cubic TiO thin films grown epitaxially on alpha-Al2O3 substrates. This kind of TiO film is also expected to have distinctive optoelectronic properties, which are still not very clear up to now. Herein, by using infrared (IR) reflection measurement we investigate the temperature-dependent optoelectronic response of a cubic TiO thin film, in which temperature induced phase transitions are observed. The semiconductor-, metallic- and semiconductor-like electronic phases of this superconducting film are found in the temperature regimes from 10 to 110 K, 110 to 220 K and above 220 K, respectively. The results obtained optically are consistent with those measured by transport experiment. Furthermore, based on an improved reflection model developed here, we extract the complex optical conductivity of the cubic TiO thin film. We are able to approximately determine the characteristic parameters (e.g., effective electron mass, carrier density, scattering time, etc.) for different electronic phases by fitting the optical conductivity with the modified Lorentz formula. These results not only deepen our understanding of the fundamental physics for cubic TiO thin films but also may find applications in optoelectronic devices based on superconductors. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001170490200001 |
Publication Date |
2024-01-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1350-4495 |
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: 1.713 |
| Call Number |
UA @ admin @ c:irua:204853 |
Serial |
9162 |
| Permanent link to this record |
| |
|
| |
| Author |
Moura, V.N.; Chaves, A.; Peeters, F.M.; Milošević, M.V. |
| Title |
McMillan-Ginzburg-Landau theory of singularities and discommensurations in charge density wave states of transition metal dichalcogenides |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
109 |
Issue |
9 |
Pages |
094507-94511 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The McMillan-Ginzburg-Landau (MGL) model for charge density waves (CDW) is employed in a systematic phenomenological study of the different phases that have been probed in recent experiments involving transition metal dichalcogenides. We implemented an efficient imaginary time evolution method to solve the MGL equations, which enabled us to investigate the role of different coupling parameters on the CDW patterns and to perform calculations with different energy functionals that lead to several experimentally observed singularities in the CDW phase profiles. In particular, by choosing the appropriate energy functionals, we were able to obtain phases that go beyond the well-known periodic phase slips (discommensurations), exhibiting also topological defects (i.e., vortex-antivortex pairs), domain walls where the CDW order parameter is suppressed, and even CDW with broken rotational symmetry. Finally, we briefly discuss the effect of these different CDW phases on the profile and critical temperature of the competing superconducting state. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001199651500001 |
Publication Date |
2024-03-11 |
| 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 |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:205491 |
Serial |
9158 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, J.; Zhao, W.-S.; Hu, Y.; Filho, R.N.C.; Peeters, F.M. |
| Title |
Charged vacancy in graphene : interplay between Landau levels and atomic collapse resonances |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
109 |
Issue |
10 |
Pages |
104103-104106 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The interplay between a magnetic field and the Coulomb potential from a charged vacancy on the electron states in graphene is investigated within the tight-binding model. The Coulomb potential removes locally Landau level degeneracy, while the vacancy introduces a satellite level next to the normal Landau level. These satellite levels are found throughout the positive-energy region, but in the negative-energy region, they turn into atomic collapse resonances. Crossings between Landau levels with different angular quantum number m are found. Unlike the point impurity system in which an anticrossing occurs between Landau levels of the same m, in this work anticrossing is found between the normal Landau level and the vacancy-induced level. The atomic collapse resonance hybridizes with the Landau levels. The charge at which the lowest Landau level m = -1, N = 1 crosses E = 0 increases with enhancing magnetic field. A Landau level scaling anomaly occurs when the charge is larger than the critical charge beta 0.6 and this critical charge is independent of the magnetic field. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001199561900008 |
Publication Date |
2024-03-04 |
| 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 |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:205508 |
Serial |
9137 |
| Permanent link to this record |
| |
|
| |
| Author |
Xiao, H.; Wen, H.; Xu, W.; Cheng, Y.; Zhang, J.; Cheng, X.; Xiao, Y.; Ding, L.; Li, H.; He, B.; Peeters, F.M. |
| Title |
Terahertz magneto-optical properties of Nitrogen-doped diamond |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Infrared physics and technology |
Abbreviated Journal |
|
| Volume |
138 |
Issue |
|
Pages |
105237-105239 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Nitrogen-doped diamond (N-D) is one of the most important carbon-based electronic and optical materials. Here we study the terahertz (THz) magneto-optical (MO) properties of N-D grown by microwave plasma-enhanced chemical vapor deposition. The optical microscope, SEM, XRD, Raman spectrum, FTIR spectroscopy and XPS are used for the characterization of N-D samples. Applying THz time-domain spectroscopy (TDS), in combination with the polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through N-D are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular transmission coefficients and MO conductivities for N-D are obtained accordingly. Through fitting the experimental results with theoretical formulas of the dielectric constant and MO conductivities for an electron gas, we are able to determine magneto-optically the key electronic parameters of N-D, such as the static dielectric constant epsilon b, the electron density ne, the electronic relaxation time tau, the electronic localization factor alpha and, particularly, the effective electron mass m* obtained under non-resonant condition. The dependence of these parameters upon magnetic field is examined and analyzed. We find that the MO conductivities of N-D can be described rightly by the MO Drude-Smith formulas developed by us previously. It is shown that N-doping and the presence of the magnetic field can lead towards the larger epsilon b and heavier m* in diamond, while ne/tau/alpha in N-D decreases/increases/decreases with increasing magnetic field. The results obtained from this work are benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of N-D. |
| 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 |
|
| Language |
|
Wos |
001200173100001 |
Publication Date |
2024-02-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1350-4495 |
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: 1.713 |
| Call Number |
UA @ admin @ c:irua:205523 |
Serial |
9178 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, C.; Lyu, Y.-Y.; Yue, W.-C.; Huang, P.; Li, H.; Li, T.; Wang, C.-G.; Yuan, Z.; Dong, Y.; Ma, X.; Tu, X.; Tao, T.; Dong, S.; He, L.; Jia, X.; Sun, G.; Kang, L.; Wang, H.; Peeters, F.M.; Milošević, M.V.; Wu, P.; Wang, Y.-L. |
| Title |
Unconventional superconducting diode effects via antisymmetry and antisymmetry breaking |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nano letters |
Abbreviated Journal |
|
| Volume |
24 |
Issue |
14 |
Pages |
4108-4116 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Symmetry breaking plays a pivotal role in unlocking intriguing properties and functionalities in material systems. For example, the breaking of spatial and temporal symmetries leads to a fascinating phenomenon: the superconducting diode effect. However, generating and precisely controlling the superconducting diode effect pose significant challenges. Here, we take a novel route with the deliberate manipulation of magnetic charge potentials to realize unconventional superconducting flux-quantum diode effects. We achieve this through suitably tailored nanoengineered arrays of nanobar magnets on top of a superconducting thin film. We demonstrate the vital roles of inversion antisymmetry and its breaking in evoking unconventional superconducting effects, namely a magnetically symmetric diode effect and an odd-parity magnetotransport effect. These effects are nonvolatilely controllable through in situ magnetization switching of the nanobar magnets. Our findings promote the use of antisymmetry (breaking) for initiating unconventional superconducting properties, paving the way for exciting prospects and innovative functionalities in superconducting electronics. |
| Address |
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| Corporate Author |
|
Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001193010700001 |
Publication Date |
2024-03-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
10.8 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 10.8; 2024 IF: 12.712 |
| Call Number |
UA @ admin @ c:irua:205553 |
Serial |
9180 |
| Permanent link to this record |
| |
|
| |
| Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
| Title |
Floquet engineering of axion and high-Chern number phases in a topological insulator under illumination |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
SciPost Physics Core |
Abbreviated Journal |
|
| Volume |
7 |
Issue |
7 |
Pages |
024-16 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Quantum anomalous Hall, high-Chern number, and axion phases in topological insulators are characterized by its Chern invariant C (respectively, C = 1, integer C > 1, and C = 0 with half-quantized Hall conductance of opposite signs on top and bottom surfaces). They are of recent interest because of novel fundamental physics and prospective applications, but identifying and controlling these phases has been challenging in practice. Here we show that these states can be created and switched between in thin films of Bi2Se3 by Floquet engineering, using irradiation by circularly polarized light. We present the calculated phase diagrams of encountered topological phases in Bi2Se3, as a function of wavelength and amplitude of light, as well as sample thickness, after properly taking into account the penetration depth of light and the variation of the gap in the surface states. These findings open pathways towards energy-efficient optoelectronics, advanced sensing, quantum information processing and metrology. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001217885300001 |
Publication Date |
2024-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
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:205972 |
Serial |
9151 |
| Permanent link to this record |
| |
|
| |
| Author |
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. |
| Title |
Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
|
| Volume |
241 |
Issue |
|
Pages |
1-9 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001215960700001 |
Publication Date |
2024-04-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0927-0256 |
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: 2.292 |
| Call Number |
UA @ admin @ c:irua:206005 |
Serial |
9179 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhou, R.; Neek-Amal, M.; Peeters, F.M.; Bai, B.; Sun, C. |
| Title |
Interlink between Abnormal Water Imbibition in Hydrophilic and Rapid Flow in Hydrophobic Nanochannels |
Type |
A1 Journal Article |
| Year |
2024 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys. Rev. Lett. |
| Volume |
132 |
Issue |
18 |
Pages |
184001 |
| Keywords |
A1 Journal Article; CMT |
| Abstract |
Nanoscale extension and refinement of the Lucas-Washburn model is presented with a detailed analysis of recent experimental data and extensive molecular dynamics simulations to investigate rapid water flow and water imbibition within nanocapillaries. Through a comparative analysis of capillary rise in hydrophilic nanochannels, an unexpected reversal of the anticipated trend, with an abnormal peak, of imbibition length below the size of 3 nm was discovered in hydrophilic nanochannels, surprisingly sharing the same physical origin as the well-known peak observed in flow rate within hydrophobic nanochannels. The extended imbibition model is applicable across diverse spatiotemporal scales and validated against simulation results and existing experimental data for both hydrophilic and hydrophobic |
| 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 |
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Publication Date |
2024-04-30 |
| 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 |
|
Edition |
|
| ISSN |
0031-9007 |
ISBN |
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Additional Links |
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| Impact Factor |
8.6 |
Times cited |
1 |
Open Access |
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| Notes |
We gratefully acknowledge the financial support pro- vided by the National Natural Science Foundation of China (Projects No. 52488201 and No. 52222606). Part of this project was supported by the Flemish Science Foundations (FWO-Vl) and the Iranian National Science Foundation (No. 4025061 and No. 4021261). |
Approved |
Most recent IF: 8.6; 2024 IF: 8.462 |
| Call Number |
UA @ lucian @ |
Serial |
9122 |
| Permanent link to this record |
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| Author |
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
| Title |
Capillary Condensation of Water in Graphene Nanocapillaries |
Type |
A1 Journal Article |
| Year |
2024 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett. |
| Volume |
24 |
Issue |
18 |
Pages |
5625-5630 |
| Keywords |
A1 Journal Article; CMT |
| Abstract |
Recent experiments have revealed that the macroscopic Kelvin equation remains surprisingly accurate even for nanoscale capillaries. This phenomenon was so far explained by the oscillatory behavior of the solid−liquid interfacial free energy. We here demonstrate thermodynamic and capillarity inconsistencies with this explanation. After revising the Kelvin equation, we ascribe its validity at nanoscale confinement to the effect of disjoining pressure.
To substantiate our hypothesis, we employed molecular dynamics simulations to evaluate interfacial heat transfer and wetting properties. Our assessments unveil a breakdown in a previously established proportionality between the work of adhesion and the Kapitza conductance at capillary heights below 1.3 nm, where the dominance of the work of adhesion shifts primarily from energy to entropy. Alternatively, the peak density of the initial water layer can effectively probe the work of adhesion. Unlike under bulk conditions, high confinement renders the work of adhesion entropically unfavorable. |
| 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 |
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Publication Date |
2024-05-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
1530-6984 |
ISBN |
|
Additional Links |
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| Impact Factor |
10.8 |
Times cited |
|
Open Access |
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| Notes |
This work was supported by Research Foundation-Flanders (FWO, project No. G099219N). The computational resources used in this work were provided by the HPC core facility CalcUA of the University of Antwerp, and the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government. |
Approved |
Most recent IF: 10.8; 2024 IF: 12.712 |
| Call Number |
UA @ lucian @ |
Serial |
9123 |
| Permanent link to this record |
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| Author |
Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M. |
| Title |
Ultra-small metallic grains : effect of statistical fluctuations of the chemical potential on superconducting correlations and vice versa |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
24 |
Issue |
27 |
Pages |
275701 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Superconducting correlations in an isolated metallic grain are governed by the interplay between two energy scales: the mean level spacing delta and the bulk pairing gap Delta(0), which are strongly influenced by the position of the chemical potential with respect to the closest single-electron level. In turn superconducting correlations affect the position of the chemical potential. Within the parity projected BCS model we investigate the probability distribution of the chemical potential in a superconducting grain with randomly distributed single-electron levels. Taking into account statistical fluctuations of the chemical potential due to the pairing interaction, we find that such fluctuations have a significant impact on the critical level spacing delta(c) at which the superconducting correlations cease: the critical ratio delta(c)/Delta(0) at which superconductivity disappears is found to be increased. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000305653100012 |
Publication Date |
2012-06-21 |
| 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 |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
9 |
Open Access |
|
| Notes |
; This work was supported by the European Community under the Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF network INSTANS. MDC and AAS are grateful to A Vagov for stimulating discussions. ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
| Call Number |
UA @ lucian @ c:irua:100280 |
Serial |
3793 |
| Permanent link to this record |
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| Author |
Chen, Y.; Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M. |
| Title |
Quantum cascades in nano-engineered superconductors : geometrical, thermal and paramagnetic effects |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
24 |
Issue |
26 |
Pages |
265702 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of a parallel magnetic field on the orbital motion of electrons in high-quality superconducting nanowires resulting in a superconductor-to-normal transition which occurs through a cascade of jumps in the order parameter as a function of the magnetic field. Such cascades originate from the transverse size quantization that splits the conduction band into a series of subbands. Here, based on a numerical solution of the Bogoliubov-de Gennes equations for a hollow nanocylinder, we investigate how the quantum-size cascades depend on the confining geometry, i.e., by changing the cylinder radius R and its thickness d we cover the range from the nanowire-like to the nanofilm-like regime. The cascades are shown to become much less pronounced when increasing R/d, i.e., when the nanofilm-like regime is approached. When the temperature is non-zero they are thermally smoothed. This includes the spin-magnetic-field interaction which reduces the critical (depairing) parallel magnetic field H-c,H-parallel to but does not have any qualitative effect on the quantum cascades. From our calculations it is seen that the paramagnetic limiting field H-par significantly exceeds H-c,H-parallel to even in extremely narrow nanocylinders, i.e., when R, d are down to a few nanometers, and H-c,H-parallel to is only about 10% larger when switching-off the spin-magnetic-field interaction in this case. Both characteristic fields, H-c,H-parallel to and H-par, exhibit pronounced quantum-size oscillations. We demonstrate that the quantum cascades and the quantum-size oscillations survive in the presence of surface roughness. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
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| Language |
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Wos |
000305640800014 |
Publication Date |
2012-06-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
6 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the ESF-AQDJJ network. MDC acknowledges the support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). ; |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
| Call Number |
UA @ lucian @ c:irua:100281 |
Serial |
2773 |
| Permanent link to this record |
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| Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
| Title |
Spatially dependent sensitivity of superconducting meanders as single-photon detectors |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
100 |
Issue |
26 |
Pages |
262603 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The photo-response of a thin current-carrying superconducting stripe with a 90 degrees turn is studied within the time-dependent Ginzburg-Landau theory. We show that the photon acting near the inner corner (where the current density is maximal due to the current crowding [J. R. Clem and K. K. Berggren, Phys. Rev. B 84, 174510 (2011)]) triggers the nucleation of superconducting vortices at currents much smaller than the expected critical one, but does not bring the system to a higher resistive state and thus remains undetected. The transition to the resistive state occurs only when the photon hits the stripe away from the corner due to there uniform current distribution across the sample, and dissipation is due to the nucleation of a kinematic vortex-antivortex pair near the photon incidence. We propose strategies to account for this problem in the measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4731627] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000305831500057 |
Publication Date |
2012-06-28 |
| 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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
27 |
Open Access |
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| Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI). G. R. B. acknowledges individual support from FWO-VI. ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
| Call Number |
UA @ lucian @ c:irua:100336 |
Serial |
3066 |
| Permanent link to this record |
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| Author |
Neek-Amal, M.; Covaci, L.; Peeters, F.M. |
| Title |
Nanoengineered nonuniform strain in graphene using nanopillars |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
86 |
Issue |
4 |
Pages |
041405 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Recent experiments showed that nonuniform strain can be produced by depositing graphene over pillars. We employed atomistic calculations to study the nonuniform strain and the induced pseudomagnetic field in graphene on top of nanopillars. By decreasing the distance between the nanopillars a complex distribution for the pseudomagnetic field can be generated. Furthermore, we performed tight-binding calculations of the local density of states (LDOS) by using the relaxed graphene configuration obtained from atomistic calculations. We find that the quasiparticle LDOS are strongly modified near the pillars, both at low energies showing sublattice polarization and at high energies showing shifts of the van Hove singularity. Our study shows that changing the specific pattern of the nanopillars allows us to create a desired shape of the pseudomagnetic field profile while the LDOS maps provide an input for experimental verification by scanning tunneling microscopy. |
| 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 |
000306313900001 |
Publication Date |
2012-07-14 |
| 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 |
51 |
Open Access |
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| Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1) and the EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:100765 |
Serial |
2255 |
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| Author |
Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M. |
| Title |
Cyclotron resonance of trilayer graphene |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
86 |
Issue |
8 |
Pages |
085412 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The cyclotron resonance energies, the corresponding oscillator strengths, and the cyclotron absorption spectrum for trilayer graphene are calculated for both ABA and ABC stacking. A gate potential across the stacked layers leads to (1) a reduction of the transition energies, (2) a lifting of the degeneracy of the zero Landau level, and (3) the removal of the electron-hole symmetry. |
| 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 |
000307273100009 |
Publication Date |
2012-08-08 |
| 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 |
7 |
Open Access |
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| Notes |
; This work was supported by the National Council for the Improvement of Higher education (CAPES), the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-V1), the bilateral projects between Flanders and Brazil and the CNPq and FWO-V1, and the ESF-Eurographene project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
| Call Number |
UA @ lucian @ c:irua:100815 |
Serial |
604 |
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| 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 |
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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 |
000306991200001 |
Publication Date |
2012-08-01 |
| 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 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.925 |
Times cited |
9 |
Open Access |
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| 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 |
