Conference paper |
- A.G. Marinopoulos, J. Coutinho, V.P. Markevich, S. Leonard, A.R. Peaker, B. Hamilton. "Lattice positions and electronic properties
of Titanium in Silicon". Paper presented in 29th European PV Solar Energy Conference and Exhibition, Amsterdam,
2014.
Published
- Pantelides, S.T.; Tsetseris, L.; Beck, M.J.; Rashkeev, S.N.; Hadjisavvas, G.; Batyrev, I.G.; Tuttle, B.R.; et al. "Performance,
reliability, radiation effects, and aging issues in microelectronics - From atomic-scale physics to engineering-level modeling".
2009.
10.1109/ESSDERC.2009.5331355
- Pantelides, S.T.; Tsetseris, L.; Beck, M.J.; Rashkeev, S.N.; Hadjisavvas, G.; Batyrev, I.G.; Tuttle, B.R.; et al. "Performance,
reliability, radiation effects, and aging issues in microelectronics - From atomic-scale physics to engineering-level modeling".
2009.
10.1109/ESSCIRC.2009.5325931
- Pantelides, S.T.; Tsetseris, L.; Beck, M.J.; Rashkeev, S.N.; Hadjisawas, G.; Batyrev, I.; Tuttle, B.; et al. "Performance,
reliability, radiation effects, and aging issues in microelectronics - From atomic-scale physics to engineering-level modeling".
2009.
10.1149/1.3122099
- L. Wirtz, V. Olevano, Marinopoulos, Apostolos. "Optical absorption in small BN and C nanotubes". Paper presented in 17th
International Winterschool/Euroconference on Electronic Properties of Novel Materials, Kirchberg, 2003.
Published • 10.1063/1.1628060
|
Journal article |
- A G Marinopoulos. "Band offsets and point-defect charges of the aluminum and hafnium oxides in contact with the Cu(In,Ga)Se2
chalcopyrite". Journal of Physics: Condensed Matter (2024): https://doi.org/10.1088/1361-648X/ad0354.
10.1088/1361-648X/ad0354
- R. Vilarinho; R. C. Vilão; H. V. Alberto; A. G. Marinopoulos; J. M. Gil; H. Luetkens; Z. Guguchia; M. Mihalik; J. Agostinho
Moreira. "Understanding the magnetic dynamics and magnetostructural coupling in the paramagnetic phase of TbMnO3 by muon-spin
spectroscopy". Physical Review B (2023): https://doi.org/10.1103/PhysRevB.108.174401.
10.1103/PhysRevB.108.174401
- A. G. Marinopoulos. "Interaction of hydrogen with aluminum vacancies in the Y3Al5O12 garnet and effects on positron trapping".
The European Physical Journal B 96 76 (2023): https://doi.org/10.1140/epjb/s10051-023-00548-5.
Published • 10.1140/epjb/s10051-023-00548-5
- Apostolos Marinopoulos. "Binding and energetics of oxygen at the CuInSe2 chalcopyrite and the CuInSe2/CdS interface". Physica
Scripta (2022): https://doi.org/10.1088/1402-4896/ac6462.
10.1088/1402-4896/ac6462
- A. G. Marinopoulos. "Interaction of hydrogen impurities with intrinsic point defects at the CuInSe$$_2$$/CdS interface of
chalcopyrite-based solar cells". The European Physical Journal B (2022): https://doi.org/10.1140/epjb/s10051-021-00255-z.
10.1140/epjb/s10051-021-00255-z
- A. G. Marinopoulos; R. C. Vilão; H. V. Alberto; E. F. M. Ribeiro; J. M. Gil; P. W. Mengyan; M. R. Goeks; M. Kauk-Kuusik; J.
S. Lord. "Hydrogen states in mixed-cation CuIn(1-x)GaxSe2 chalcopyrite alloys: a combined study by first-principles density-functional
calculations and muon-spin spectroscopy". Philosophical Magazine (2021): https://doi.org/10.1080/14786435.2021.1972178.
10.1080/14786435.2021.1972178
- R. C. Vilão; A. G. Marinopoulos; H. V. Alberto; J. M. Gil; J. S. Lord; A. Weidinger. "Sapphire a-Al2O3 puzzle: Joint µSR and
density functional theory study". Physical Review B (2021): https://doi.org/10.1103/PhysRevB.103.125202.
10.1103/PhysRevB.103.125202
- A G Marinopoulos; P M Gordo. "Zr vacancies and their complexes with hydrogen in monoclinic zirconia: formation energies and
positron lifetimes". Physica Scripta (2020): https://doi.org/10.1088/1402-4896/ab56cd.
10.1088/1402-4896/ab56cd
- A. G. Marinopoulos. "First-principles study of the formation energies and positron lifetimes of vacancies in the Yttrium-Aluminum
Garnet Y3Al5O12". The European Physical Journal B 92 11 (2019): https://doi.org/10.1140/epjb/e2019-100392-0.
10.1140/epjb/e2019-100392-0
- A G Marinopoulos. "Positron lifetimes of bare and hydrogenated zirconium vacancies in cubic yttria-stabilized zirconia: an
ab initio study". Journal of Physics: Condensed Matter (2019): https://doi.org/10.1088/1361-648X/ab1d18.
10.1088/1361-648X/ab1d18
- A G Marinopoulos; R C Vilão; H V Alberto; J M Gil. "Electronic structure and migration of interstitial hydrogen in the rutile
phase of TiO2". Journal of Physics: Condensed Matter (2018): https://doi.org/10.1088/1361-648X/aae0a2.
10.1088/1361-648X/aae0a2
- Marinopoulos, Apostolos. "Protons in cubic yttria-stabilized zirconia: Binding sites and migration pathways". Solid State
Ionics 315 (2018): 116-125. https://www.sciencedirect.com/science/article/pii/S0167273817301728.
https://doi.org/10.1016/j.ssi.2017.12.006
- Marinopoulos, Apostolos. "Recombination via transition metals in solar silicon: The significance of hydrogen–metal reactions
and lattice sites of metal atoms". physica status solidi (a) 214 7 (2017): 1700304-n/a. http://dx.doi.org/10.1002/pssa.201700304.
10.1002/pssa.201700304
- Marinopoulos, Apostolos. "Defect levels and hyperfine constants of hydrogen in beryllium oxide from hybrid-functional calculations
and muonium spectroscopy". Philosophical Magazine 97 24 (2017): 2108-2128. https://doi.org/10.1080/14786435.2017.1328133.
10.1080/14786435.2017.1328133
- Marinopoulos, Apostolos. "Isolated hydrogen configurations in zirconia as seen by muon spin spectroscopy and \textitab
initio calculations". Phys. Rev. B 94 (2016): 115207-115207. http://link.aps.org/doi/10.1103/PhysRevB.94.115207.
10.1103/PhysRevB.94.115207
- Marinopoulos, Apostolos. "Electronic structure of interstitial hydrogen in lutetium oxide from $\textDFT+U$ calculations and
comparison study with $\ensuremathµ\mathrmSR$ spectroscopy". Phys. Rev. B 94 (2016): 014104-014104. http://link.aps.org/doi/10.1103/PhysRevB.94.014104.
10.1103/PhysRevB.94.014104
- Marinopoulos, Apostolos. "Electrical Levels and Diffusion Barriers of Early 3d and 4d Transition Metals in Silicon". Solid
State Phenomena (2015): http://dx.doi.org/10.4028/www.scientific.net/ssp.242.264.
10.4028/www.scientific.net/ssp.242.264
- Marinopoulos, A.G.; Santos, P.; Coutinho, J.. "DFT+ U study of electrical levels and migration barriers of early 3d and 4d
transition metals in silicon". Physical Review B - Condensed Matter and Materials Physics 92 7 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84940099971&partnerID=MN8TOARS.
10.1103/PhysRevB.92.075124
- Markevich, V.P.; Leonard, S.; Peaker, A.R.; Hamilton, B.; Marinopoulos, A.G.; Coutinho, J.. "Titanium in silicon: Lattice
positions and electronic properties". Applied Physics Letters 104 15 (2014): http://www.scopus.com/inward/record.url?eid=2-s2.0-84899644374&partnerID=MN8TOARS.
10.1063/1.4871702
- Vieira, R.B.L.; Vilão, R.C.; Gordo, P.M.; Marinopoulos, A.G.; Alberto, H.V.; Duarte, J.P.; Gil, J.M.; Weidinger, A.; Lord,
J.S.. "Muon-Spin-Rotation study of yttria-stabilized zirconia (ZrO2:Y): Evidence for muon and electron separate traps". Journal
of Physics: Conference Series 551 1 (2014): http://www.scopus.com/inward/record.url?eid=2-s2.0-84919430222&partnerID=MN8TOARS.
10.1088/1742-6596/551/1/012050
- Marinopoulos, A.G.. "First-principles study of hydrogen configurations at the core of a high-angle grain boundary in cubic
yttria-stabilized zirconia". Journal of Physics Condensed Matter 26 2 (2014): http://www.scopus.com/inward/record.url?eid=2-s2.0-84890574585&partnerID=MN8TOARS.
10.1088/0953-8984/26/2/025502
- Marinopoulos, A.G.. "Incorporation and migration of hydrogen in yttria-stabilized cubic zirconia: Insights from semilocal
and hybrid-functional calculations". Physical Review B - Condensed Matter and Materials Physics 86 15 (2012): http://www.scopus.com/inward/record.url?eid=2-s2.0-84868121887&partnerID=MN8TOARS.
10.1103/PhysRevB.86.155144
- Silva, E.L.; Marinopoulos, A.G.; Vilão, R.C.; Vieira, R.B.L.; Alberto, H.V.; Piroto Duarte, J.; Gil, J.M.. "Hydrogen impurity
in yttria: Ab initio and µsR perspectives". Physical Review B - Condensed Matter and Materials Physics 85 16 (2012):
http://www.scopus.com/inward/record.url?eid=2-s2.0-84860453890&partnerID=MN8TOARS.
10.1103/PhysRevB.85.165211
- Pennycook, S.J.; Van Benthem, K.; Marinopoulos, A.G.; Oh, S.-H.; Molina, S.I.; Borisevich, A.Y.; Luo, W.; Pantelides, S.T..
"Seeing inside materials by aberration-corrected electron microscopy". International Journal of Nanotechnology 8 10-12
(2011): 935-947. http://www.scopus.com/inward/record.url?eid=2-s2.0-84857201880&partnerID=MN8TOARS.
10.1504/IJNT.2011.044438
- Marinopoulos, A.G.. "First principles study of segregation to the s5(310) grain boundary of cubic zirconia". Journal of
Physics Condensed Matter 23 8 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-79951801809&partnerID=MN8TOARS.
10.1088/0953-8984/23/8/085005
- Marinopoulos, A.G.; Grüning, M.. "Local-field and excitonic effects in the optical response of a-alumina". Physical Review
B - Condensed Matter and Materials Physics 83 19 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-79961112951&partnerID=MN8TOARS.
10.1103/PhysRevB.83.195129
- Vilão, R.C.; Marinopoulos, A.G.; Vieira, R.B.L.; Weidinger, A.; Alberto, H.V.; Duarte, J.P.; Gil, J.M.; Lord, J.S.; Cox, S.F.J..
"Hydrogen impurity in paratellurite a-TeO2: Muon-spin rotation and ab initio studies". Physical Review B - Condensed Matter
and Materials Physics 84 4 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-79961245191&partnerID=MN8TOARS.
10.1103/PhysRevB.84.045201
- Pantelides, S.T.; Tsetseris, L.; Beck, M.J.; Rashkeev, S.N.; Hadjisavvas, G.; Batyrev, I.G.; Tuttle, B.R.; et al. "Performance,
reliability, radiation effects, and aging issues in microelectronics - From atomic-scale physics to engineering-level modeling".
Solid-State Electronics 54 9 (2010): 841-848. http://www.scopus.com/inward/record.url?eid=2-s2.0-77954218607&partnerID=MN8TOARS.
10.1016/j.sse.2010.04.041
- Kramberger, C.; Hambach, R.; Giorgetti, C.; Rümmeli, M.H.; Knupfer, M.; Fink, J.; Büchner, B.; et al. "Linear plasmon dispersion
in single-wall carbon nanotubes and the collective excitation spectrum of graphene". Physical Review Letters 100 19
(2008): http://www.scopus.com/inward/record.url?eid=2-s2.0-43749089337&partnerID=MN8TOARS.
10.1103/PhysRevLett.100.196803
- Marinopoulos, A.G.; Van Benthem, K.; Rashkeev, S.N.; Pennycook, S.J.; Pantelides, S.T.. "Impurity segregation and ordering
in Si/ SiO2 / HfO2 structures". Physical Review B - Condensed Matter and Materials Physics 77 19 (2008): http://www.scopus.com/inward/record.url?eid=2-s2.0-43949138617&partnerID=MN8TOARS.
10.1103/PhysRevB.77.195317
- Marinopoulos, A.G.; Reining, L.; Rubio, A.. "Ab initio study of the dielectric response of crystalline ropes of metallic single-walled
carbon nanotubes: Tube-diameter and helicity effects". Physical Review B - Condensed Matter and Materials Physics 78
23 (2008): http://www.scopus.com/inward/record.url?eid=2-s2.0-58549120035&partnerID=MN8TOARS.
10.1103/PhysRevB.78.235428
- Hambach, R.; Giorgetti, C.; Hiraoka, N.; Cai, Y.Q.; Sottile, F.; Marinopoulos, A.G.; Bechstedt, F.; Reining, L.. "Anomalous
angular dependence of the dynamic structure factor near bragg reflections: Graphite". Physical Review Letters 101 26
(2008): http://www.scopus.com/inward/record.url?eid=2-s2.0-58149512232&partnerID=MN8TOARS.
10.1103/PhysRevLett.101.266406
- Marinopoulos, A.G.; Batyrev, I.; Zhou, X.J.; Schrimpf, R.D.; Fleetwood, D.M.; Pantelides, S.T.. "Hydrogen shuttling near Hf-defect
complexes in Si/SiO2/HfO 2 structures". Applied Physics Letters 91 23 (2007): http://www.scopus.com/inward/record.url?eid=2-s2.0-36849063705&partnerID=MN8TOARS.
10.1063/1.2820380
- Sottile, F.; Bruneval, F.; Marinopoulos, A.G.; Dash, L.K.; Botti, S.; Olevano, V.; Vast, N.; Rubio, A.; Reining, L.. "TDDFT
from molecules to solids: The role of long-range interactions". International Journal of Quantum Chemistry 102 5 SPEC.
IS (2005): 684-701. http://www.scopus.com/inward/record.url?eid=2-s2.0-17644409757&partnerID=MN8TOARS.
10.1002/qua.20486
- Marinopoulos, A.G.; Reining, L.; Rubio, A.; Olevano, V.. "Ab initio study of the optical absorption and wave-vector-dependent
dielectric response of graphite". Physical Review B - Condensed Matter and Materials Physics 69 24 (2004): http://www.scopus.com/inward/record.url?eid=2-s2.0-42749101615&partnerID=MN8TOARS.
10.1103/PhysRevB.69.245419
- Marinopoulos, A.G.; Wirtz, L.; Marini, A.; Olevano, V.; Rubio, A.; Reining, L.. "Optical absorption and electron energy loss
spectra of carbon and boron nitride nanotubes: A first-principles approach". Applied Physics A: Materials Science and Processing
78 8 (2004): 1157-1167. http://www.scopus.com/inward/record.url?eid=2-s2.0-1842534416&partnerID=MN8TOARS.
- Marinopoulos, A.G.; Reining, L.; Rubio, A.; Vast, N.. "Optical and loss spectra of carbon nanotubes: Depolarization effects
and intertube interactions". Physical Review Letters 91 4 (2003): http://www.scopus.com/inward/record.url?eid=2-s2.0-0041819680&partnerID=MN8TOARS.
- Marinopoulos, A.G.; Reining, L.; Olevano, V.; Rubio, A.; Pichler, T.; Liu, X.; Knupfer, M.; Fink, J.. "Anisotropy and interplane
interactions in the dielectric response of graphite". Physical Review Letters 89 7 (2002): http://www.scopus.com/inward/record.url?eid=2-s2.0-45849154555&partnerID=MN8TOARS.
- Nufer, S.; Marinopoulos, A.G.; Elsasser, C.; Kurtz, W.; Ruhle, M.. "Spatially resolved analytical electron microscopy at grain
boundaries of a-Al2O3". Journal of Materials Science and Technology 18 2 (2002): 189-190. http://www.scopus.com/inward/record.url?eid=2-s2.0-0036520798&partnerID=MN8TOARS.
- GW Bailey, RL Price, E Voelkl, IH Musselman, S Nufer, AG Marinopoulos, S Fabris, C Elsässer, W Kurtz, M Rühle. "Microscopic
Analysis of Twin Grain Boundaries in Alumina". Microscopy and Microanalysis 7 S2 (2001): 312-313. http://dx.doi.org/10.1017/s143192760002763x.
Published • 10.1017/s143192760002763x
- Nufer, S.; Marinopoulos, A.G.; Gemming, T.; Elsässer, C.; Kurtz, W.; Köstlmeier, S.; Rühle, M.. "Quantitative atomic-scale
analysis of interface structures: Transmission electron microscopy and local density functional theory". Physical Review
Letters 86 22 (2001): 5066-5069. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035962826&partnerID=MN8TOARS.
10.1103/PhysRevLett.86.5066
- Marinopoulos, A.G.; Elsässer, C.. "Density-functional and shell-model calculations of the energetics of basal-plane stacking
faults in sapphire". Philosophical Magazine Letters 81 5 (2001): 329-338. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035352139&partnerID=MN8TOARS.
10.1080/09500830110039984
- Marinopoulos, A.G.; Nufer, S.; Elsässer, C.. "Interfacial structures and energetics of basal twins in a-Al2O3: First-principles
density-functional and empirical calculations". Physical Review B - Condensed Matter and Materials Physics 63 16 (2001):
1651121-1651129. http://www.scopus.com/inward/record.url?eid=2-s2.0-0034879371&partnerID=MN8TOARS.
- Elsässer, C.; Marinopoulos, A.G.. "Substitutional cation impurities in a-Al2O3: Ab-initio case study of segregation to the
rhombohedral twin boundary". Acta Materialia 49 15 (2001): 2951-2959. http://www.scopus.com/inward/record.url?eid=2-s2.0-0035801872&partnerID=MN8TOARS.
10.1016/S1359-6454(01)00213-0
- Marinopoulos, A.G.; Elsässer, C.. "Microscopic structure and bonding at the rhombohedral twin interface in a-Al2O3". Acta
Materialia 48 18-19 (2000): 4375-4386. http://www.scopus.com/inward/record.url?eid=2-s2.0-0343618402&partnerID=MN8TOARS.
10.1016/S1359-6454(00)00224-X
- Marinopoulos, A.G.; Vitek, V.; Bassani, J.L.. "Local and effective elastic properties of grain boundaries in silicon". Physica
Status Solidi (A) Applied Research 166 1 (1998): 455-473. http://www.scopus.com/inward/record.url?eid=2-s2.0-0032025445&partnerID=MN8TOARS.
- Vitek, V.; Marinopoulos, A.G.. "Importance of non-central interatomic forces in atomistic studies of grain boundaries". Materials
Science Forum 207-209 PART 1 (1996): 101-104. http://www.scopus.com/inward/record.url?eid=2-s2.0-3743126352&partnerID=MN8TOARS.
- Marinopoulos, Apostolos. "Significance of non-central forces in atomistic studies of grain boundaries in bcc transition metals".
(1995): http://dx.doi.org/10.1080/01418619508236257.
10.1080/01418619508236257
- Marinopoulos, A.; Sob, M.; Vitek, V.; Carlsson, A.E.. "Comparative atomistic study of the structure of grain boundaries in
tungsten". Materials Research Society Symposium Proceedings 291 (1993): 491-496. http://www.scopus.com/inward/record.url?eid=2-s2.0-0027246789&partnerID=MN8TOARS.
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