Publications [LaTeX]
Papers
International Journals
1 - First-Principles Study of the Formation and Stability of the Interstitial and Substitutional Hydrogen Impurity in Magnesium Oxide
Marinopoulos, A.G.
Condens. Matter 11(1), 2 (2026)
2 - Ab initio computational study of hydration thermodynamics in cubic yttria-stabilized zirconia
Marinopoulos, A.G.
Model. Simul. Mater. Sci. Eng. 33(2), 025002 (2025)
3 - Intrinsic defect model of paratellurite (α-TeO2) based on the charge neutrality condition and density-functional calculations
Marinopoulos, A.G.
J. Phys. Condens. Matter 37(49), 495501 (2025)
4 - Muonium reaction in MgO: A showcase for the final steps of ion implantation
R.C. Vilao, A. Roonkiani, A.G. Marinopoulos, H.V. Alberto, J.M. Gil, R.B.L. Vieira, R. Scheuermann, A. Weidinger
SciPost Phys. Core. 8(3), 056 (2025)
5 - Dielectric Response of Yttria-Zirconia Ordered Solids Within Density-Functional Theory in the Random-Phase Approximation
Marinopoulos, A.G.
Condens. Matter 9(4), 54 (2024)
6 - Local Environment and Migration Paths of the Proton Defect in Yttria-Stabilized Zirconia Studied by Ab Initio Calculations and Muon-Spin Spectroscopy
AG Marinopoulos, RC Vilao, HV Alberto, JM Gil, RBL Vieira, JS Lord
Hydrogen 5(3), 374-386 (2024)
7 - Investigation of the solar cell materials Cu(In,Ga)Se2 and Cu2ZnSnS4 with muon spin spectroscopy and density-functional calculations
RC Vilao, AG Marinopoulos, DG Santos, HV Alberto, JM Gil, PW Mengyan, M Kauk-Kuusik, JS Lord, A Weidinger
J. Appl. Phys. 136(5), 055704 (2024)
8 - Interaction of hydrogen with aluminum vacancies in the Y3Al5O12 garnet and effects on positron trapping
Marinopoulos, AG
Eur. Phys. J. B 96 (6), 76 (2023)
9 - Understanding the magnetic dynamics and magnetostructural coupling in the paramagnetic phase of TbMnO3 by muon-spin spectroscopy
R Vilarinho, RC Vilao, H Alberto, AG Marinopoulos, JM Gil, H Luetkens, Z Guguchia, M Mihalik, M Mihalik Jr, JA Moreira
Phys. Rev. B 108 (17), 174401 (2023)
10 - Interaction of hydrogen impurities with intrinsic point defects at the CuInSe2/CdS interface of chalcopyrite-based solar cells
Marinopoulos, AG
Eur. Phys. J. B 95(1) (2022)
11 - Binding and energetics of oxygen at the CuInSe2 chalcopyrite and the CuInSe2/CdS interface
Marinopoulos, AG
Phys. Scr. 97(5), 055810 (2022)
12 - Hydrogen states in mixed-cation CuIn(1-x)GaxSe2 chalcopyrite alloys: a combined study by first-principles density-functional calculations and muon-spin spectroscopy
AG Marinopoulos, RC Vilao, HV Alberto, EFM Ribeiro, JM Gil, PW Mengyan, MR Goeks, Kauk-Kuusik, JS Lord
Philos. Mag. 101(22), 2412-2434 (2021)
13 - Sapphire alpha-Al2O3 puzzle: Joint mu SR and density functional theory study
RC Vilao, AG Marinopoulos, HV Alberto, JM Gil, JS Lord, A Weidinger
Phys. Rev. B 103(12), 125202 (2021)
14 - Zr vacancies and their complexes with hydrogen in monoclinic zirconia: formation energies and positron lifetimes
AG Marinopoulos, PM Gordo
Phys. Scr. 95(3), 035801 (2020)
15 - Positron lifetimes of bare and hydrogenated zirconium vacancies in cubic yttria- stabilized zirconia: an ab initio study
Marinopoulos, AG
J. Phys. Condens. Matter 31, 315503 (2019)
16 - Electronic structure and migration of interstitial hydrogen in the rutile phase of TiO2
AG Marinopoulos, RC Vilao, HV Alberto, JM Gil
Journal of Physics: Condensed Matter 30, 425503 (2018)
17 - Protons in cubic yttria-stabilized zirconia: Binding sites and migration pathways
Marinopoulos, AG
Solid State Ionics 315, 116-125 (2018)
18 - Defect levels and hyperfine constants of hydrogen in beryllium oxide from hybrid-functional calculations and muonium spectroscopy
AG Marinopoulos, RC Vilão, RBL Vieira, HV Alberto, JM Gil, MV Yakushev, R Scheuermann, T Goko
Philosophical Magazine 97, 2108-2128 (2017)
19 - Electronic structure of interstitial hydrogen in lutetium oxide from DFT plus U calculations and comparison study with mu SR spectroscopy
EL da Silva, AG Marinopoulos, RBL Vieira, RC Vilao, HV Alberto, JM Gil, RL Lichti, PW Mengyan, BB Baker
Phys. Rev. B 94(1), 014104 (2016)
20 - First-principles study of hydrogen
configurations at the core of a high-angle grain boundary in
cubic yttria-stabilized zirconia
A.G. Marinopoulos
J. Phys.: Condens. Matter 26(2), 025502 (2014)
21 - Incorporation and migration of hydrogen in
yttria-stabilized cubic zirconia: Insights from semilocal and
hybrid-functional calculations
Marinopoulos, A. G.
PHYSICAL REVIEW B 86, 155144 (2012)
22 - Hydrogen impurity
in yttria: Ab initio and mu SR perspectives
E. L Silva, A. G. Marinopoulos, R. C. Vilao, R. B. L. Vieira, H. V. Alberto, J. Piroto Duarte, J. M. Gil
PHYSICAL REVIEW B 85, 165211 (2012)
23 - Local-field and excitonic effects in the optical response of α-alumina
A.G. Marinopoulos, M. Grüning
Phys. Rev. B 83, 195129 (2011)
24 - First principles study of segregation to the
Sigma 5(310) grain boundary of cubic zirconia
Marinopoulos, A. G.
JOURNAL OF
PHYSICS-CONDENSED MATTER 23(8), 085005 (2011)
25 - Seeing inside materials by aberration-corrected electron
microscopy
S. J. Pennycook, K. van Benthem, A. G. Marinopoulos, S-H. Oh, S. I. Molina, A. Y. Borisevich, W. Luo, S. T. Pantelides
INTERNATIONAL JOURNAL OF NANOTECHNOLOGY 8(10-12), 935-947 (2011)
Communications
Invited
26 - Muonium formation in insulators and semiconductors
RC Vilão, AG Marinopoulos, PJR Pires, SSS Santos, EFM_Ribeiro, HV Alberto, JM Gil, A Weidinger JS Lord
NEMPO- Neutron and Muon Users in Portugal,, 7th workshop (remote meeting) 29/1/2021 (2021)
Oral
27 - Excitonic and local field effects in the optical response of Alumina
Myrta Grüning, A.G. Marinopoulos
DFT@PT, February 4, Coimbra, Portugal (2011)
28 - Hydrogen impurity in paratellurite (alpha-TeO2): muSR and ab-initio study
R.C. Vilão*, A.G. Marinopoulos, R.B.L. Vieira, A. Weidinger, J.M. Gil, H.V. Alberto, J. Piroto Duarte, J.S. Lord and S. F. J. Cox
(2011)
Poster
29 - Hydrogen in TeO2: a muSR and computational study
R.C. Vilão, A. Marinopoulos, J. M. Gil, J. Piroto Duarte, H. V. Alberto, A. Weidinger
(2010)
