| Records |
| Author |
Veljkovic, D.; Tadić, M.; Peeters, F.M. |
| Title |
Intersublevel absorption in stacked n-type doped self-assembled quantum dots |
Type |
A1 Journal article |
| Year |
2005 |
Publication  |
Materials science forum |
Abbreviated Journal |
Mater Sci Forum |
| Volume |
494 |
Issue |
|
Pages |
37-42 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The intersublevel absorption in n-doped InAs/GaAs self-assembled quantum-dot molecules composed of three quantum dots is theoretically considered. The transition matrix elements and the transition energies are found to vary considerably with the spacer thickness. For s polarized light, decreasing the thickness of the spacer between the dots brings about crossings between the transition matrix elements, but the overall absorption is not affected by the variation of the spacer thickness. For p-polarized light and thick spacers, there are no available transitions in the single quantum dot, but a few of them emerge as a result of the electron state splitting in the stacks of coupled quantum dots, which leads to a considerable increase of the transition matrix elements, exceeding by an order of magnitude values of the matrix elements for s-polarized light. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0255-5476; 1662-9752 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:94746 |
Serial |
1715 |
| Permanent link to this record |
| |
|
| |
| Author |
Partoens, B.; Matulis, A.; Peeters, F.M. |
| Title |
Magnetoplasma excitations in vertically coupled quantum dot systems |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Materials science forum |
Abbreviated Journal |
Mater Sci Forum |
| Volume |
297/298 |
Issue |
|
Pages |
225-228 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| Language |
|
Wos |
000080081600043 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0255-5476; 1662-9752 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:24176 |
Serial |
1920 |
| Permanent link to this record |
| |
|
| |
| Author |
Hoat, D.M.; Nguyen, D.K.; Bafekry, A.; Van On, V.; Ul Haq, B.; Rivas-Silva, J.F.; Cocoletzi, G.H. |
| Title |
Strain-driven modulation of the electronic, optical and thermoelectric properties of beta-antimonene monolayer : a hybrid functional study |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Materials Science In Semiconductor Processing |
Abbreviated Journal |
Mat Sci Semicon Proc |
| Volume |
131 |
Issue |
|
Pages |
105878 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Electronic, optical, and thermoelectric properties of the beta-antimonene (beta-Sb) monolayer under the external biaxial strain effects are fully investigated through the first-principles calculations. The studied two-dimensional (2D) system is dynamically and structurally stable as examined via phonon spectrum and cohesive energy. At equilibrium, the beta-Sb single layer exhibits an indirect band gap of 1.310 and 1.786 eV as predicted by the PBE and HSE06 functionals, respectively. Applying external strain may induce the indirect-direct gap transition and significant variation of the energy gap. The calculated optical spectra indicate the enhancement of the optical absorption in a wide energy range from infrared to ultraviolet as induced by the applied strain. In the visible and ultraviolet regime, the absorption coefficient can reach values as large as 82.700 (10(4)/cm) and 91.458 (10(4)/cm). Results suggest that the thermoelectric performance may be improved considerably by applying proper external strain with the figure of merit reaching a value of 0.665. Our work demonstrates that the external biaxial strains may be an effective method to make the beta-Sb monolayer prospective 2D material for optoelectronic and thermoelectric applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000663422800002 |
Publication Date |
2021-04-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1369-8001 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.359 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.359 |
| Call Number |
UA @ admin @ c:irua:179565 |
Serial |
7021 |
| Permanent link to this record |
| |
|
| |
| Author |
Yorulmaz, B.; Ozden, A.; Sar, H.; Ay, F.; Sevik, C.; Perkgoz, N.K. |
| Title |
CVD growth of monolayer WS2 through controlled seed formation and vapor density |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Materials science in semiconductor processing |
Abbreviated Journal |
|
| Volume |
93 |
Issue |
|
Pages |
158-163 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Large area, single layer WS2 has a high potential for use in optoelectrical devices with its high photo-luminescence intensity and low response time. In this work, we demonstrate a systematic study of controlled tungsten disulfide (WS2) monolayer growth using chemical vapor deposition (CVD) technique. With a detailed investigation of process parameters such as H-2 gas inclusion into the main carrier gas, growth temperature and duration, we have gained insight into two-dimensional (2D) WS2 synthesis through controlling the seed formations and the radical vapor density associated with WO3. We confirm that H-2 gas, when included to the carrier gas, is directly involved in WO3 reduction due to its reductive reagent nature, which provides a more effective sulfurization and monolayer formation process. Additionally, by changing the CVD growth configuration, hence, increasing the tungsten related vapor density and confining the reactant radicals, we succeed in realizing larger WS(2 )monolayers, which is still a technological challenge in order to utilize these structures for practical applications. Further optimization of the growth procedure is demonstrated by tuning the growth duration to prevent the excess seed formations and additional layers which will possibly limit the device performance of the monolayer flakes or films when applied. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000457727300018 |
Publication Date |
2019-01-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1369-8001 |
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:193782 |
Serial |
7748 |
| Permanent link to this record |
| |
|
| |
| Author |
Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A. |
| Title |
First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Materials Today Communications |
Abbreviated Journal |
|
| Volume |
31 |
Issue |
|
Pages |
103388-10 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS] |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000820987400002 |
Publication Date |
2022-03-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2352-4928 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:189563 |
Serial |
7163 |
| Permanent link to this record |
| |
|
| |
| Author |
Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X. |
| Title |
ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Materials today energy |
Abbreviated Journal |
|
| Volume |
16 |
Issue |
|
Pages |
Unsp 100392-8 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
In this work, we employed first-principles density functional theory (DFT) calculations to investigate the dynamical and thermal stability of graphene-like ZnX (X = N, P, As) nanosheets. We moreover analyzed the electronic, mechanical and optical properties of these novel two-dimensional (2D) systems. Acquired phonon dispersion relations reveal the absence of imaginary frequencies and thus confirming the dynamical stability of predicted monolayers. According to ab-initio molecular dynamics results however only ZnN and ZnP exhibit the required thermally stability. The elastic modulus of ZnN, ZnP and ZnAs are estimated to be 31, 21 and 17 N/m, respectively, and the corresponding tensile strengths values are 6.0, 4.9 and 4.0 N/m, respectively. Electronic band structure analysis confirms the metallic electronic character for the predicted monolayers. Results for the optical characteristics also indicate a reflectivity of 100% at extremely low energy levels, which is desirable for photonic and optoelectronic applications. According to our results, graphene-like ZnN and ZnP nanosheets can yield high capacities of 675 and 556 mAh/g for Li-ion storage, respectively. Acquired results confirm the stability and acceptable strength of ZnN and ZnP nanosheets and highlight their attractive application prospects in optical and energy storage systems. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000539083500049 |
Publication Date |
2020-02-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2468-6069 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
9.3 |
Times cited |
13 |
Open Access |
|
| Notes |
; B. M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; |
Approved |
Most recent IF: 9.3; 2020 IF: NA |
| Call Number |
UA @ admin @ c:irua:169752 |
Serial |
6655 |
| Permanent link to this record |
| |
|
| |
| Author |
Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L. |
| Title |
Quasiparticle twist dynamics in non-symmorphic materials |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Materials Today Physics |
Abbreviated Journal |
|
| Volume |
21 |
Issue |
|
Pages |
100548 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000708226400009 |
Publication Date |
2021-09-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2542-5293 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:184040 |
Serial |
7016 |
| Permanent link to this record |
| |
|
| |
| Author |
Pandey, T.; Du, M.-H.; Parker, D.S.; Lindsay, L. |
| Title |
Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Materials Today Physics |
Abbreviated Journal |
|
| Volume |
28 |
Issue |
|
Pages |
100881-10 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelec-tronic materials, properties that are missing in their prominent lead-containing counterparts. Their large ther-mopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs2SnI6 and gamma-CsSnI3, two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (kappa l) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated kappa l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to kappa l, arising from wave like phonon tunneling, are important in both compounds. Overall, calculated kappa l with temperature-dependent inter-atomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow kappa l values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs2SnI6 and gamma-CsSnI3, respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000876484300002 |
Publication Date |
2022-10-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2542-5293 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.5 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 11.5 |
| Call Number |
UA @ admin @ c:irua:192139 |
Serial |
7329 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, H.; Pandey, T.; Jiang, Y.; Gu, X.; Lindsay, L.; Koh, Y.K. |
| Title |
Origins of heat transport anisotropy in MoTe₂ and other bulk van der Waals materials |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Materials Today Physics |
Abbreviated Journal |
|
| Volume |
37 |
Issue |
|
Pages |
101196-101198 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is crucial for thermal management of emerging 2D materials devices and design of novel anisotropic thermoelectric materials. Despite the importance, anisotropic heat transport in vdW materials is yet to be systematically studied and is often presumably attributed to anisotropic speeds of sound in vdW materials due to soft interlayer bonding relative to covalent in-plane networks of atoms. In this work, we investigate the origins of the anisotropic heat transport in vdW materials, through time-domain thermoreflectance (TDTR) measurements and first-principles calculations of anisotropic thermal conductivity of three different phases of MoTe2. MoTe2 is ideal for the study due to its weak anisotropy in the speeds of sound. We find that even when the speeds of sound are roughly isotropic, the measured thermal conductivity of MoTe2 along the c-axis is 5-8 times lower than that along the in-plane axes. We derive meaningful characteristic heat capacity, phonon group velocity, and relaxation times from our first principles calculations for selected vdW materials (MoTe2, BP, h-BN, and MoS2), to assess the contributions of these factors to the anisotropic heat transport. Interestingly, we find that the main contributor to the heat transport anisotropy in vdW materials is anisotropy in heat capacity of the dominant heat-carrying phonon modes in different directions, which originates from anisotropic optical phonon dispersion and disparity in the frequency of heat-carrying phonons in different directions. The discrepancy in frequency of the heat-carrying phonons also leads to similar to 2 times larger average relaxation times in the cross-plane direction, and partially explains the apparent dependence of the anisotropic heat transport on the anisotropic speeds of sound. This work provides insight into understanding of the anisotropic heat transport in vdW materials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001093005700001 |
Publication Date |
2023-08-09 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2542-5293 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 11.5; 2023 IF: NA |
| Call Number |
UA @ admin @ c:irua:201295 |
Serial |
9070 |
| Permanent link to this record |
| |
|
| |
| Author |
de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. |
| Title |
Flow analyses in the lower airways: patient-specific model and boundary conditions |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Medical engineering and physics |
Abbreviated Journal |
Med Eng Phys |
| Volume |
30 |
Issue |
7 |
Pages |
872-879 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
| Abstract |
Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000259768300009 |
Publication Date |
2007-12-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1350-4533; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.819 |
Times cited |
82 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.819; 2008 IF: 2.216 |
| Call Number |
UA @ lucian @ c:irua:71693 |
Serial |
1224 |
| Permanent link to this record |
| |
|
| |
| Author |
Lujan, G.S.; Magnus, W.; Sorée, B.; Ragnarsson, L.A.; Trojman, L.; Kubicek, S.; De Gendt, S.; Heyns, A.; De Meyer, K. |
| Title |
Barrier permeation effects on the inversion layer subband structure and its applications to the electron mobility |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
80 |
Issue |
|
Pages |
82-85 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The electron wave functions in the inversion layer are analyzed in the case where the dielectric barriers are not infinite. This forces the electron concentration closer to the interface silicon/oxide and reduces the subband energy. This treatment of the inversion layer is extended to the calculation of the electron mobility degradation due to remote Coulomb scattering on a high-k dielectric stacked transistor. The subband energy reduction leads to a decrease of the scattering charge needed to explain the experimental results. This model can also fit better the experimental data when compared with the case where no barrier permeation is considered. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000231517000021 |
Publication Date |
2005-06-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.806; 2005 IF: 1.347 |
| Call Number |
UA @ lucian @ c:irua:102729 |
Serial |
222 |
| Permanent link to this record |
| |
|
| |
| Author |
Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. |
| Title |
First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
80 |
Issue |
|
Pages |
272-279 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The impact of interfacial chemistry occurring at dielectric/gate interface of P-MOS and N-MOS devices is reviewed through a quick literature survey. A specific emphasis is put on the way the bond polarization that occurs between a dielectric and a metal substrate impacts on the gate work function. First-principle simulations are then used to study the work function changes induced by dopant aggregation in nickel monosilicide metal gates. It is shown that the changes are a natural consequence of the variation of the interface polarization. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000231517000062 |
Publication Date |
2005-06-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
31 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.806; 2005 IF: 1.347 |
| Call Number |
UA @ lucian @ c:irua:95095 |
Serial |
1199 |
| Permanent link to this record |
| |
|
| |
| Author |
Peeters, F.M.; Schweigert, V.A.; Deo, P.S. |
| Title |
Mesoscopic superconducting disks: fluxoids in a box |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
47 |
Issue |
|
Pages |
393-395 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000081403600093 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.806; 1999 IF: 0.815 |
| Call Number |
UA @ lucian @ c:irua:27028 |
Serial |
2002 |
| Permanent link to this record |
| |
|
| |
| Author |
Peeters, F.M.; Reijniers, J.; Badalian, S.M.; Vasilopoulos, P. |
| Title |
Snake orbits in hybrid semiconductor/ferromagnetic devices |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
47 |
Issue |
|
Pages |
405-407 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000081403600096 |
Publication Date |
2002-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.806; 1999 IF: 0.815 |
| Call Number |
UA @ lucian @ c:irua:27030 |
Serial |
3046 |
| Permanent link to this record |
| |
|
| |
| Author |
Pathangi, H.; Cherman, V.; Khaled, A.; Sorée, B.; Groeseneken, G.; Witvrouw, A. |
| Title |
Towards CMOS-compatible single-walled carbon nanotube resonators |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
107 |
Issue |
|
Pages |
219-222 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
We report a totally CMOS-compatible fabrication technique to assemble horizontally suspended single-walled carbon nanotube (SWCNT) resonators. Individual SWCNTs are assembled in parallel at multiple sites by a technique called dielectrophoresis. The mechanical resonance frequencies of the suspended SWCNTs are in the range of 2035 MHz as determined from the piezoresistive response of the resonators during electrostatic actuation. The resistance of the suspended SWCNT either remains unchanged or increases or decreases significantly as a function of the actuation frequency. This can be explained by the effect the nanotube chirality has on the piezoresistive gauge factor. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000319855800040 |
Publication Date |
2012-07-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
6 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.806; 2013 IF: 1.338 |
| Call Number |
UA @ lucian @ c:irua:109260 |
Serial |
3685 |
| Permanent link to this record |
| |
|
| |
| Author |
Moors, K.; Sorée, B.; Magnus, W. |
| Title |
Resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
167 |
Issue |
167 |
Pages |
37-41 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering. While taking into account the detailed statistical properties of grains, roughness and barrier material as well as the metallic band structure and quantum mechanical aspects of scattering and confinement, the model does not rely on phenomenological fitting parameters. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000390746000008 |
Publication Date |
2016-10-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
6 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.806 |
| Call Number |
UA @ lucian @ c:irua:140354 |
Serial |
4460 |
| Permanent link to this record |
| |
|
| |
| Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
| Title |
Adsorption of small molecules on graphene |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
40 |
Issue |
4/5 |
Pages |
860-862 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000265870200058 |
Publication Date |
2008-12-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.163 |
Times cited |
116 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
| Call Number |
UA @ lucian @ c:irua:77030 |
Serial |
65 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W. |
| Title |
Dielectric mismatch effect on coupled impurity states in a freestanding nanowire |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
40 |
Issue |
3 |
Pages |
446-448 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000264694700017 |
Publication Date |
2008-07-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.163 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
| Call Number |
UA @ lucian @ c:irua:76410 |
Serial |
690 |
| Permanent link to this record |
| |
|
| |
| Author |
Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
| Title |
Neutral shallow donors near a metallic interface |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
40 |
Issue |
4/5 |
Pages |
753-755 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of a metallic gate on the bound states of a shallow donor located near the gate is studied. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anti-crossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000265870200024 |
Publication Date |
2009-02-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.163 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
| Call Number |
UA @ lucian @ c:irua:77029 |
Serial |
2296 |
| Permanent link to this record |
| |
|
| |
| Author |
Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Resonant tunneling in graphene microstructures |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
39 |
Issue |
3-4 |
Pages |
534-536 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000255600600055 |
Publication Date |
2007-08-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.163 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2008 IF: 0.859 |
| Call Number |
UA @ lucian @ c:irua:68850 |
Serial |
2892 |
| Permanent link to this record |
| |
|
| |
| Author |
Mlinar, V.; Peeters, F.M. |
| Title |
Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
37 |
Issue |
12 |
Pages |
1427-1429 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000242907400002 |
Publication Date |
2006-07-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.163 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2006 IF: 0.651 |
| Call Number |
UA @ lucian @ c:irua:62325 |
Serial |
3612 |
| Permanent link to this record |
| |
|
| |
| Author |
Mlinar, V.; Peeters, F.M. |
| Title |
Tuning of the optical properties of (11k) grown InAs quantum dots by the capping layer |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
39 |
Issue |
3-4 |
Pages |
359-361 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000255600600013 |
Publication Date |
2007-09-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.163 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2008 IF: 0.859 |
| Call Number |
UA @ lucian @ c:irua:68849 |
Serial |
3753 |
| Permanent link to this record |
| |
|
| |
| Author |
Janssens, K.L.; Partoens, B.; Peeters, F.M. |
| Title |
Type II quantum dots in magnetic fields: excitonic behaviour |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
| Volume |
34 |
Issue |
|
Pages |
347-350 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Luton |
Editor |
|
| Language |
|
Wos |
000183607400007 |
Publication Date |
2003-04-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.163 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.163; 2003 IF: 0.565 |
| Call Number |
UA @ lucian @ c:irua:62450 |
Serial |
3790 |
| Permanent link to this record |
| |
|
| |
| Author |
Bals, S.; Kisielowski, C.; Croitoru, M.; Van Tendeloo, G. |
| Title |
Tomography using annular dark field imaging in TEM |
Type |
A3 Journal article |
| Year |
2005 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
S |
Pages |
2118-2119 |
| Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:54880 |
Serial |
3672 |
| Permanent link to this record |
| |
|
| |
| Author |
van Dyck, D.; Van Aert, S.; Croitoru, M.D. |
| Title |
Obstacles on the road towards atomic resolution tomography |
Type |
A3 Journal article |
| Year |
2005 |
Publication |
Microscoy and microanalysis |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
S2 |
Pages |
238-239 |
| Keywords |
A3 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:57129 |
Serial |
2426 |
| Permanent link to this record |
| |
|
| |
| Author |
Baelus, B.J.; Peeters, F.M. |
| Title |
Multiply connected mesoscopic superconductors |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Modern physics letters B
T2 – 3rd International Conference on Modern Problems in Superconductivity, SEP 09-14, 2002, YALTA, UKRAINE |
Abbreviated Journal |
Mod Phys Lett B |
| Volume |
17 |
Issue |
10-12 |
Pages |
527-536 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Multiply connected mesoscopic: superconductors are considered within the framework of the nonlinear Ginzburg-Landau theory. The two coupled nonlinear equations are solved numerically and we investigated the properties of a superconducting ring, two concentric rings, and an asymmetric ring. We find that (i) for a mesoscopic superconducting ring the flux through the hole is not quantized, (ii) two concentric mesoscopic superconducting rings are magnetically coupled and the interaction energy increases with increasing sample thickness, and (iii) in asymmetric rings, a stationary phase slip state is predicted. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
World scientific publ co pte ltd |
Place of Publication |
Singapore |
Editor |
|
| Language |
|
Wos |
000184303900016 |
Publication Date |
2003-07-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0217-9849;1793-6640; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
0.617 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 0.617; 2003 IF: 0.461 |
| Call Number |
UA @ lucian @ c:irua:103810 |
Serial |
2236 |
| Permanent link to this record |
| |
|
| |
| Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
| Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
| Volume |
4 |
Issue |
14 |
Pages |
813-820 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000466846700004 |
Publication Date |
2019-02-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2059-8521 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
|
| Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: NA |
| Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
| Permanent link to this record |
| |
|
| |
| Author |
Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M. |
| Title |
High performance piezotronic spin transistors using molybdenum disulfide nanoribbon |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Nano Energy |
Abbreviated Journal |
Nano Energy |
| Volume |
75 |
Issue |
|
Pages |
104953 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000560729200011 |
Publication Date |
2020-05-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2211-2855 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
17.6 |
Times cited |
17 |
Open Access |
|
| Notes |
; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ; |
Approved |
Most recent IF: 17.6; 2020 IF: 12.343 |
| Call Number |
UA @ admin @ c:irua:171123 |
Serial |
6535 |
| Permanent link to this record |
| |
|
| |
| Author |
Zarenia, M.; Pereira, J.M.; Peeters, F.M.; Farias, G.A. |
| Title |
Electrostatically confined quantum rings in bilayer graphene |
Type |
A1 Journal article |
| Year |
2009 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
9 |
Issue |
12 |
Pages |
4088-4092 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B0) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B0 ¨ −B0 transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000272395400023 |
Publication Date |
2009-08-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
42 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.712; 2009 IF: 9.991 |
| Call Number |
UA @ lucian @ c:irua:80318 |
Serial |
1024 |
| Permanent link to this record |
| |
|
| |
| Author |
Peelaers, H.; Partoens, B.; Peeters, F.M. |
| Title |
Formation and segregation energies of B and P doped and BP codoped silicon nanowires |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
6 |
Issue |
12 |
Pages |
2781-2784 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington |
Editor |
|
| Language |
|
Wos |
000242786500026 |
Publication Date |
2006-11-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
94 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.712; 2006 IF: 9.960 |
| Call Number |
UA @ lucian @ c:irua:62381 |
Serial |
1248 |
| Permanent link to this record |
