Browse by UCL people
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Number of items: 116.
Article
Berens, J;
Mistry, MV;
Waldhör, D;
Shluger, A;
Pobegen, G;
Grasser, T;
(2022)
Origin of trap assisted tunnelling in ammonia annealed SiC trench MOSFETs.
Microelectronics Reliability
, 139
, Article 114789. 10.1016/j.microrel.2022.114789.
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Bodlos, R;
Fotopoulos, V;
Spitaler, J;
Shluger, AL;
Romaner, L;
(2022)
Energies and structures of Cu/Nb and Cu/W interfaces from density functional theory and semi-empirical calculations.
Materialia
, 21
, Article 101362. 10.1016/j.mtla.2022.101362.
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Bradley, SR;
Bersuker, G;
Shluger, AL;
(2015)
Modelling of oxygen vacancy aggregates in monoclinic HfO: can they contribute to conductive filament formation?
Journal of Physics: Condensed Matter
, 27
(41)
, Article 415401. 10.1088/0953-8984/27/41/415401.
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Cerbu, F;
Madia, O;
Andreev, DV;
Fadida, S;
Eizenberg, M;
Breuil, L;
Lisoni, JG;
... Stesmans, A; + view all
(2016)
Intrinsic electron traps in atomic-layer deposited HfO2 insulators.
Applied Physics Letters
, 108
(22)
, Article 222901. 10.1063/1.4952718.
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Cottom, J;
Bochkarev, A;
Olsson, E;
Patel, K;
Munde, M;
Spitaler, J;
Popov, MN;
... Shluger, AL; + view all
(2019)
Modeling of Diffusion and Incorporation of Interstitial Oxygen Ions at the TiN/SiO2 Interface.
ACS Appl Mater Interfaces
, 11
(39)
pp. 36232-36243.
10.1021/acsami.9b10705.
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Cottom, J;
Gruber, G;
Hadley, P;
Koch, M;
Pobegen, G;
Aichinger, T;
Shluger, A;
(2016)
Recombination centers in 4H-SiC investigated by electrically detected magnetic resonance and ab initio modeling.
Journal of Applied Physics
, 119
(18)
, Article 181507. 10.1063/1.4948242.
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Cottom, J;
Gruber, G;
Pobegen, G;
Aichinger, T;
Shluger, AL;
(2018)
Recombination defects at the 4H-SiC/SiO2 interface investigated with electrically detected magnetic resonance and ab initio calculations.
Journal of Applied Physics
, 124
(4)
, Article 045302. 10.1063/1.5024608.
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Daraszewicz, SL;
Giret, Y;
Naruse, N;
Murooka, Y;
Yang, J;
Duffy, DM;
Shluger, AL;
(2013)
Structural dynamics of laser-irradiated gold nanofilms.
Physical Review B
, 88
(18)
, Article 184101. 10.1103/PhysRevB.88.184101.
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Daraszewicz, SL;
Giret, Y;
Tanimura, H;
Duffy, DM;
Shluger, AL;
Tanimura, K;
(2014)
Determination of the electron-phonon coupling constant in tungsten.
Applied Physics Letters
, 105
(2)
, Article 023112. 10.1063/1.4890413.
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Dicks, O;
Cottom, J;
Shluger, AL;
Afanas'ev, V;
(2019)
The origin of negative charging in amorphous Al₂O₃ films: the role of native defects.
Nanotechnology
, 30
(20)
10.1088/1361-6528/ab0450.
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Dicks, OA;
Shluger, AL;
(2017)
Theoretical modeling of charge trapping in crystalline and amorphous Al2O3.
Journal of Physics: Condensed Matter
, 29
(31)
, Article 314005. 10.1088/1361-648X/aa7767.
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Dicks, OA;
Sushko, PV;
Shluger, AL;
Littlewood, PB;
(2016)
Spectroscopic properties of oxygen vacancies in LaAlO3.
Physical Review B
, 93
, Article 134114. 10.1103/PhysRevB.93.134114.
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Durrant, Thomas R;
El-Sayed, Al-Moatasem;
Gao, David Z;
Rueckes, Thomas;
Bersuker, Gennadi;
Shluger, Alexander L;
(2022)
Atomistic Modeling of the Electrical Conductivity of Single‐Walled Carbon Nanotube Junctions.
physica status solidi (RRL) – Rapid Research Letters
, Article 2200118. 10.1002/pssr.202200118.
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Durrant, TR;
Murphy, ST;
Watkins, MB;
Shluger, AL;
(2018)
Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions.
Journal of Chemical Physics
, 149
(2)
, Article 024103. 10.1063/1.5029818.
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El-Sayed, A;
Watkins, MB;
Grasser, T;
Shluger, AL;
(2018)
Effect of electric field on migration of defects in oxides: Vacancies and interstitials in bulk MgO.
Physical Review B
, 98
(6)
, Article 064102. 10.1103/PhysRevB.98.064102.
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El-Sayed, A-M;
Tanimura, K;
Shluger, AL;
(2015)
Optical signatures of intrinsic electron localization in amorphous SiO2.
Journal of Physics: Condensed Matter
, 27
(26)
10.1088/0953-8984/27/26/265501.
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El-Sayed, A-M;
Watkins, MB;
Grasser, T;
Afanas’ev, VV;
Shluger, AL;
(2015)
Hole trapping at hydrogenic defects in amorphous silicon dioxide.
Microelectronic Engineering
, 147
141 - 144.
10.1016/j.mee.2015.04.073.
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El-Sayed, A-M;
Watkins, MB;
Shluger, AL;
Afanas'ev, VV;
(2013)
Identification of intrinsic electron trapping sites in bulk amorphous silica from ab initio calculations.
MICROELECTRONIC ENGINEERING
, 109
68 - 71.
10.1016/j.mee.2013.03.027.
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El-Sayed, AM;
Watkins, MB;
Grasser, T;
Afanas'ev, VV;
Shluger, AL;
(2015)
Hydrogen-induced rupture of strained Si─O bonds in amorphous silicon dioxide.
Physical Review Letters
, 114
(11)
, Article 115503. 10.1103/PhysRevLett.114.115503.
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Foster, A.S.;
Barth, C.;
Shluger, A.L.;
Reichling, M.;
(2001)
Unambiguous interpretation of atomically resolved force microscopy images of an insulator.
Physical Review Letters
, 86
(11)
pp. 2373-2376.
10.1103/PhysRevLett.86.2373.
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Foster, AS;
Gal, AY;
Gale, JD;
Lee, YJ;
Nieminen, RM;
Shluger, AL;
(2004)
Interaction of silicon dangling bonds with insulating surfaces.
PHYS REV LETT
, 92
(3)
, Article 036101. 10.1103/PhysRevLett.92.036101.
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Foster, AS;
Shluger, AL;
Nieminen, RM;
(2002)
Mechanism of interstitial oxygen diffusion in hafnia.
PHYS REV LETT
, 89
(22)
, Article 225901. 10.1103/PhysRevLett.89.225901.
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Fotopoulos, Vasileios;
Mora-Fonz, David;
Kleinbichler, Manuel;
Bodlos, Rishi;
Kozeschnik, Ernst;
Romaner, Lorenz;
Shluger, Alexander L;
(2023)
Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study.
Nanomaterials
, 13
(9)
, Article 1464. 10.3390/nano13091464.
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Fotopoulos, Vasileios;
O'Hern, Corey S;
Shattuck, Mark D;
Shluger, Alexander L;
(2024)
Modeling the Effects of Varying the Ti Concentration on the Mechanical Properties of Cu–Ti Alloys.
ACS Omega
, 9
(9)
pp. 10286-10298.
10.1021/acsomega.3c07561.
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Fotopoulos Fotis, Vasileios;
(2023)
Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu.
Physical Chemistry Chemical Physics
, 25
(13)
pp. 9168-9175.
10.1039/d3cp00085k.
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Gaberle, J;
Gao, DZ;
Shluger, AL;
Amrous, A;
Bocquet, F;
Nony, L;
Para, F;
... Cherioux, F; + view all
(2017)
Morphology and Growth Mechanisms of Self-Assembled Films on Insulating Substrates: Role of Molecular Flexibility and Entropy.
Journal of Physical Chemistry C
, 121
(8)
pp. 4393-4403.
10.1021/acs.jpcc.6b12738.
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Gaberle, J;
Shluger, A;
(2019)
The role of surface reduction in the formation of Ti interstitials.
RSC Advances
, 9
(22)
pp. 12182-12188.
10.1039/c9ra01015g.
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Gaberle, J;
Shluger, AL;
(2018)
Structure and properties of intrinsic and extrinsic defects in black phosphorus.
Nanoscale
, 10
pp. 19536-19546.
10.1039/c8nr06640j.
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Gao, D;
Strand, J;
Munde, M;
Shluger, A;
(2019)
Mechanisms of Oxygen Vacancy Aggregation in SiO2 and HfO2.
Frontiers in Physics
, 7
, Article 43. 10.3389/fphy.2019.00043.
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Gao, DZ;
Grenz, J;
Watkins, MB;
Canova, FF;
Schwarz, A;
Wiesendanger, R;
Shluger, AL;
(2014)
Using Metallic Noncontact Atomic Force Microscope Tips for Imaging Insulators and Polar Molecules: Tip Characterization and Imaging Mechanisms.
ACS NANO
, 8
(5)
5339 - 5351.
10.1021/nn501785q.
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Giordano, L;
Sushko, PV;
Pacchioni, G;
Shluger, AL;
(2007)
Electron trapping at point defects on hydroxylated silica surfaces.
PHYS REV LETT
, 99
(13)
, Article 136801. 10.1103/PhysRevLett.99.136801.
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Giret, Y;
Daraszewicz, SL;
Duffy, DM;
Shluger, AL;
Tanimura, K;
(2014)
Nonthermal solid-to-solid phase transitions in tungsten.
Physical Review B
, 90
(9)
, Article 094103. 10.1103/PhysRevB.90.094103.
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Giret, Y;
Naruse, N;
Daraszewicz, SL;
Murooka, Y;
Yang, J;
Duffy, DM;
Shluger, AL;
(2013)
Determination of transient atomic structure of laser-excited materials from time-resolved diffraction data.
Applied Physics Letters
, 103
(25)
, Article 253107. 10.1063/1.4847695.
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Goes, W;
Wimmer, Y;
El-Sayed, A-M;
Rzepa, G;
Jech, M;
Shluger, AL;
Grasser, T;
(2018)
Identification of oxide defects in semiconductor devices: A systematic approach linking DFT to rate equations and experimental evidence.
Microelectronics Reliability
, 87
pp. 286-320.
10.1016/j.microrel.2017.12.021.
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Gurung, L;
Alonso, AM;
Babij, TJ;
Cooper, BS;
Shlugerl, AL;
Cassidy, DB;
(2019)
Positronium emission from MgO smoke nanocrystals.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 52
(10)
, Article 105004. 10.1088/1361-6455/ab0f06.
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Halliday, MT;
Hess, WP;
Shluger, AL;
(2016)
A mechanism of Cu work function reduction in CsBr/Cu photocathodes.
Physical Chemistry Chemical Physics
, 18
(10)
pp. 7427-7434.
10.1039/c5cp07694c.
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Halliday, MTE;
Joly, AG;
Hess, WP;
Shluger, AL;
(2015)
Photoinduced Br Desorption from CsBr Thin Films Grown on Cu(100).
Journal of Physical Chemistry C
, 119
(42)
pp. 24036-24045.
10.1021/acs.jpcc.5b08275.
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Hao, X;
Yoko, A;
Inoue, K;
Xu, Y;
Saito, M;
Chen, C;
Seong, G;
... Ikuhara, Y; + view all
(2021)
Atomistic origin of high-concentration Ce³⁺ in {100}-faceted Cr- substituted CeO₂ nanocrystals.
Acta Materialia
, 203
, Article 116473. 10.1016/j.actamat.2020.11.015.
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Izmailov, Roman;
Strand, Jack;
Ronchi, Nicolo';
Shluger, Alexander;
Afanas'ev, Valeri;
(2024)
Electron emission from deep traps in HfO₂ under thermal and optical excitation.
Physical Review B
, 109
(13)
, Article 134109. 10.1103/PhysRevB.109.134109.
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Izmailov, RA;
Strand, JW;
Larcher, L;
O'Sullivan, BJ;
Shluger, AL;
Afanas'ev, VV;
(2021)
Electron trapping in ferroelectric HfO2.
Physical Review Materials
, 5
(3)
, Article 034415. 10.1103/physrevmaterials.5.034415.
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Kantorovich, LN;
Foster, AS;
Shluger, AL;
Stoneham, AM;
(2000)
Role of image forces in non-contact scanning force microscope images of ionic surfaces.
Surface Science
, 445
(2-3)
283 - 299.
10.1016/S0039-6028(99)01086-9.
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Kantorovich, LN;
Shluger, AL;
Stoneham, AM;
(2000)
Structure and spectroscopy of surface defects from scanning force spectroscopy: theoetical predictions.
Physical Review Letters
, 85
(18)
3845 - 3849.
10.1103/PhysRevLett.85.3846.
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Kantorovich, LN;
Shluger, AL;
Sushko, PV;
Stoneham, AM;
(2000)
The prediction of metastable impact electronic spectra (MIES): perfect and defective MgO(001) surfaces by state-of-the-art methods.
Surface Science
, 444
(1-3)
31 - 51.
10.1016/S0039-6028(99)01049-3.
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Kaviani, M;
Afanas'ev, VV;
Shluger, AL;
(2017)
Interactions of hydrogen with amorphous hafnium oxide.
Physical Review B
, 95
(7)
, Article 075117. 10.1103/PhysRevB.95.075117.
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Kaviani, M;
Strand, J;
Afanas'ev, VV;
Shluger, AL;
(2016)
Deep electron and hole polarons and bipolarons in amorphous oxide.
PHYSICAL REVIEW B
, 94
(2)
, Article 020103(R). 10.1103/PhysRevB.94.020103.
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Kieczka, Daria;
Durrant, Thomas Robert;
Milton, Katherine;
Goh, Kuan Eng Johnson;
Bosman, Michel;
Shluger, Alexander L;
(2023)
Defects in WS2 monolayer calculated with a nonlocal functional: any difference from GGA?
Electronic Structure
, 5
, Article 024001. 10.1088/2516-1075/acc55d.
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Konstantinou, K;
Duffy, DM;
Shluger, AL;
(2016)
Structure and luminescence of intrinsic localized states in sodium silicate glasses.
PHYSICAL REVIEW B
, 94
(17)
10.1103/PhysRevB.94.174202.
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Kovaleva, NN;
Gavartin, JL;
Shluger, AL;
Boris, AV;
Stoneham, AM;
(2002)
Formation and relaxation energies of electronic holes in LaMnO3 crystal.
Physica B: Condensed Matter
, 312-31
734 - 736.
10.1016/S0921-4526(01)01240-6.
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La Torraca, P;
Padovani, A;
Strand, J;
Shluger, A;
Larcher, L;
(2024)
The Role of Carrier Injection in the Breakdown Mechanism of Amorphous Al2O3 Layers.
IEEE Electron Device Letters
, 45
(2)
pp. 236-239.
10.1109/LED.2023.3337882.
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Lanza, M;
Wong, HSP;
Pop, E;
Ielmini, D;
Strukov, D;
Regan, BC;
Larcher, L;
... Shi, Y; + view all
(2019)
Recommended Methods to Study Resistive Switching Devices.
Advanced Electronic Materials
, 5
(1)
, Article 1800143. 10.1002/aelm.201800143.
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Ling, S;
El-Sayed, A-M;
Lopez-Gejo, F;
Watkins, MB;
Afanas'ev, VV;
Shluger, AL;
(2013)
A computational study of Si-H bonds as precursors for neutral E ' centres in amorphous silica and at the Si/SiO2 interface.
MICROELECTRONIC ENGINEERING
, 109
310 - 313.
10.1016/j.mee.2013.03.028.
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Ling, S;
Watkins, MB;
Shluger, AL;
(2013)
Effects of atomic scale roughness at metal/insulator interfaces on metal work function.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
, 15
(45)
19615 - 19624.
10.1039/c3cp53590h.
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Ling, S;
Watkins, MB;
Shluger, AL;
(2013)
Effects of Oxide Roughness at Metal Oxide Interface: MgO on Ag(001).
Journal of Physical Chemistry C
, 117
(10)
pp. 5075-5083.
10.1021/jp311141k.
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Loh, L;
Ning, S;
Kieczka, D;
Chen, Y;
Yang, J;
Wang, Z;
Pennycook, SJ;
... Bosman, M; + view all
(2025)
Electron Ptychography for Atom-by-Atom Quantification of 1D Defect Complexes in Monolayer MoS2.
ACS Nano
, 19
(6)
pp. 6195-6208.
10.1021/acsnano.4c14988.
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Mehonic, A;
Buckwell, M;
Montesi, L;
Munde, MS;
Gao, D;
Hudziak, S;
Chater, RJ;
... Kenyon, AJ; + view all
(2016)
Nanoscale transformations in metastable, amorphous, silicon-rich silica.
Advanced Materials
, 28
(34)
pp. 7486-7493.
10.1002/adma.201601208.
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Mehonic, A;
Munde, MS;
Ng, WH;
Buckwell, M;
Montesi, L;
Bosman, M;
Shluger, AL;
(2017)
Intrinsic resistance switching in amorphous silicon oxide for high performance SiOx ReRAM devices.
Microelectronic Engineering
, 178
pp. 98-103.
10.1016/j.mee.2017.04.033.
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Mehonic, A;
Shluger, AL;
Gao, D;
Valov, I;
Miranda, E;
Ielmini, D;
Bricalli, A;
... Kenyon, AJ; + view all
(2018)
Silicon Oxide (SiOx): A Promising Material for Resistance Switching?
Advanced Materials
, 30
(43)
, Article 1801187. 10.1002/adma.201801187.
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Milton, Katherine L;
Durrant, Thomas R;
Cobos Freire, Teofilo;
Shluger, Alexander L;
(2023)
Difference in Structure and Electronic Properties of Oxygen Vacancies in α-Quartz and α-Cristobalite Phases of SiO2.
Materials
, 16
(4)
, Article 1382. 10.3390/ma16041382.
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Mistry, M;
Cottom, J;
Patel, K;
Shluger, AL;
Sosso, GC;
Pobegen, G;
(2021)
Modelling the interactions and diffusion of NO in amorphous SiO₂.
Modelling and Simulation in Materials Science and Engineering
, 29
(3)
, Article 035008. 10.1088/1361-651x/abdc69.
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Miyazawa, K;
Watkins, M;
Shluger, AL;
Fukuma, T;
(2017)
Influence of ions on two-dimensional and three-dimensional atomic force microscopy at fluorite–water interfaces.
Nanotechnology
, 28
(24)
, Article 245701. 10.1088/1361-6528/aa7188.
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Mora-Fonz, D;
Kaviani, M;
Shluger, AL;
(2020)
Disorder-induced electron and hole trapping in amorphous TiO₂.
Physical Review B
, 102
(5)
, Article 054205. 10.1103/PhysRevB.102.054205.
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Mora-Fonz, D;
Schön, JC;
Prehl, J;
Woodley, SM;
Catlow, CRA;
Shluger, AL;
Sokol, AA;
(2020)
Real and virtual polymorphism of titanium selenide with robust interatomic potentials.
Journal of Materials Chemistry A
10.1039/d0ta03667f.
(In press).
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Mora-Fonz, D;
Shluger, AL;
(2020)
Modeling of intrinsic electron and hole trapping in crystalline and amorphous ZnO.
Advanced Electronic Materials
, 6
(1)
, Article 1900760. 10.1002/aelm.201900760.
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Mora-Fonz, D;
Shluger, AL;
(2019)
Making amorphous ZnO: Theoretical predictions of its structure and stability.
Physical Review B
, 99
(1)
, Article 014202. 10.1103/PhysRevB.99.014202.
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Mukherjee, A;
Gnaim, M;
Tov, IS;
Hargreaves, L;
Hayon, J;
Shluger, A;
Rosenwaks, Y;
(2021)
Ultrasensitive hydrogen detection by electrostatically formed silicon nanowire decorated by palladium nanoparticles.
Sensors and Actuators B: Chemical
, 346
, Article 130509. 10.1016/j.snb.2021.130509.
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Munde, MS;
Mehonic, A;
Ng, WH;
Buckwell, M;
Montesi, L;
Bosman, M;
Shluger, A;
(2017)
Intrinsic Resistance Switching in Amorphous Silicon Suboxides: The Role of Columnar Microstructure.
Scientific Reports
, 7
, Article 9274. 10.1038/s41598-017-09565-8.
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Murphy, ST;
Daraszewicz, SL;
Giret, Y;
Watkins, M;
Shluger, AL;
Tanimura, K;
Duffy, DM;
(2015)
Dynamical simulations of an electronically induced solid-solid phase transformation in tungsten.
Physical Review B
, 92
(13)
, Article 134110. 10.1103/PhysRevB.92.134110.
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Murphy, ST;
Giret, Y;
Daraszewicz, SL;
Lim, AC;
Shluger, AL;
Tanimura, K;
Duffy, DM;
(2016)
Contribution of electronic excitation to the structural evolution of ultrafast laser-irradiated tungsten nanofilms.
Physical Review B
, 93
(10)
, Article 104105. 10.1103/PhysRevB.93.104105.
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Nadeem, IM;
Hargreaves, L;
Harrison, GT;
Idriss, H;
Shluger, AL;
Thornton, G;
(2021)
Carboxylate Adsorption on Rutile TiO2(100): Role of Coulomb Repulsion, Relaxation, and Steric Hindrance.
The Journal of Physical Chemistry C
, 125
(25)
pp. 13770-13779.
10.1021/acs.jpcc.1c00892.
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Ohashi, N;
Mora-Fonz, D;
Otani, S;
Ohgaki, T;
Miyakawa, M;
Shluger, A;
(2020)
Inverse Perovskite Oxysilicides and Oxygermanides as Candidates for Nontoxic Infrared Semiconductor and Their Chemical Bonding Nature.
Inorganic Chemistry
, 59
(24)
pp. 18305-18313.
10.1021/acs.inorgchem.0c02897.
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Olsson, E;
Cai, Q;
Cottom, J;
Jakobsen, R;
Shluger, AL;
(2019)
Structural, elastic, vibrational and electronic properties of amorphous Sm₂O₃ from Ab Initio calculations.
Computational Materials Science
, 169
, Article 109119. 10.1016/j.commatsci.2019.109119.
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Padovani, A;
La Torraca, P;
Strand, J;
Larcher, L;
Shluger, AL;
(2024)
Dielectric breakdown of oxide films in electronic devices.
Nature Reviews Materials
, 9
pp. 607-627.
10.1038/s41578-024-00702-0.
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Padovani, A;
Gao, DZ;
Shluger, AL;
Larcher, L;
(2017)
A microscopic mechanism of dielectric breakdown in SiO2 films: An insight from multi-scale modeling.
Journal of Applied Physics
, 121
(15)
, Article 155101. 10.1063/1.4979915.
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Patel, K;
Cottom, J;
Mehonic, A;
Ng, WH;
Kenyon, AJ;
Bosman, M;
Shluger, AL;
(2021)
The nature of column boundaries in micro-structured silicon oxide nanolayers.
APL Materials
, 9
(12)
, Article 121107. 10.1063/5.0073349.
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Patel, K;
Cottom, J;
Bosman, M;
Kenyon, AJ;
Shluger, AL;
(2019)
An oxygen vacancy mediated Ag reduction and nucleation mechanism in SiO2 RRAM devices.
Microelectronics Reliability
, 98
pp. 144-152.
10.1016/j.microrel.2019.05.005.
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Ramo, DM;
Shluger, AL;
Gavartin, JL;
Bersuker, G;
(2007)
Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO2.
PHYS REV LETT
, 99
(15)
, Article 155504. 10.1103/PhysRevLett.99.155504.
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SHLUGER, AL;
STONEHAM, AM;
(1993)
SMALL POLARONS IN REAL CRYSTALS - CONCEPTS AND PROBLEMS.
J PHYS-CONDENS MAT
, 5
(19)
3049 - 3086.
10.1088/0953-8984/5/19/007.
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Smith, N;
Weger, M;
Pobegen, G;
Shluger, A;
(2023)
P-Type Impurities in 4H-SiC Calculated Using Density Functional Theory.
Defect and Diffusion Forum
, 426
pp. 35-42.
10.4028/p-3d9axo.
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Stoneham, AM;
Gavartin, JL;
Shluger, AL;
(2005)
The oxide gate dielectric: do we know all we should?
J PHYS-CONDENS MAT
, 17
(21)
S2027 - S2049.
10.1088/0953-8984/17/21/001.
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Strand, Jack;
La Torraca, Paolo;
Padovani, Andrea;
Larcher, Luca;
Shluger, Alexander L;
(2022)
Dielectric breakdown in HfO2 dielectrics: Using multiscale modeling to identify the critical physical processes involved in oxide degradation.
Journal of Applied Physics
, 131
, Article 234501. 10.1063/5.0083189.
|
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Strand, Jack;
Shluger, Alexander L;
(2023)
On the Structure of Oxygen Deficient Amorphous Oxide Films.
Advanced Science
, Article e2306243. 10.1002/advs.202306243.
(In press).
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Strand, J;
Chulkov, SK;
Watkins, MB;
Shluger, AL;
(2019)
First principles calculations of optical properties for oxygen vacancies in binary metal oxides.
The Journal of Chemical Physics
, 150
(4)
, Article 044702. 10.1063/1.5078682.
|
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Strand, J;
Kaviani, M;
Gao, DZ;
El-Sayed, A-M;
Afanas'ev, VV;
Shluger, AL;
(2018)
Intrinsic Charge Trapping in Amorphous Oxide Films: Status and Challenges.
Journal of Physics: Condensed Matter
, 30
(23)
, Article 233001. 10.1088/1361-648X/aac005.
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Strand, J;
Larcher, L;
Shluger, AL;
(2019)
Properties of intrinsic point defects and dimers in hexagonal boron nitride.
Journal of Physics: Condensed Matter
10.1088/1361-648X/ab4e5d.
(In press).
|
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Strand, JW;
Cottom, J;
Larcher, L;
Shluger, AL;
(2020)
Effect of electric field on defect generation and migration in
HfO₂.
Physical Review B
, 102
(1)
, Article 014106. 10.1103/physrevb.102.014106.
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Strand, JW;
Kaviani, M;
Afanas’ev, VV;
Lisoni, JG;
Shluger, AL;
(2018)
Intrinsic electron trapping in amorphous oxide.
Nanotechnology
, 29
(12)
, Article 125703. 10.1088/1361-6528/aaa77a.
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Sushko, PV;
Mukhopadhyay, S;
Stoneham, AM;
Shluger, AL;
(2005)
Oxygen vacancies in amorphous silica: structure and distribution of properties.
Microelectronic Engineering
, 80
292 - 295.
10.1016/j.mee.2005.04.083.
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Sushko, PV;
Shluger, AL;
Hayashi, K;
Hirano, M;
Hosono, H;
(2003)
Electron localization and a confined electron gas in nanoporous inorganic electrides.
PHYS REV LETT
, 91
(12)
, Article 126401. 10.1103/PhysRevLett.91.126401.
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Szymanski, MA;
Stoneham, AM;
Shluger, A;
(2000)
The roles of charged and neutral oxidising species in silicon oxidation from ab initio calculations.
Microelectronics Reliability
, 40
(4-5)
567 - 570.
10.1016/S0026-2714(99)00259-0.
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Teobaldi, G;
Lammle, K;
Trevethan, T;
Watkins, M;
Schwarz, A;
Wiesendanger, R;
Shluger, AL;
(2011)
Chemical Resolution at Ionic Crystal Surfaces Using Dynamic Atomic Force Microscopy with Metallic Tips.
PHYS REV LETT
, 106
(21)
, Article 216102. 10.1103/PhysRevLett.106.216102.
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Trevethan, T;
Watkins, M;
Kantorovich, LN;
Shluger, AL;
(2007)
Controlled manipulation of atoms in insulating surfaces with the virtual atomic force microscope.
PHYS REV LETT
, 98
(2)
, Article 028101. 10.1103/PhysRevLett.98.028101.
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Van Der Giessen, E;
Schultz, PA;
Bertin, N;
Bulatov, VV;
Cai, W;
Csányi, G;
Foiles, SM;
... Tadmor, EB; + view all
(2020)
Roadmap on multiscale materials modeling.
Modelling and Simulation in Materials Science and Engineering
, 28
(4)
, Article 043001. 10.1088/1361-651X/ab7150.
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Watkins, M;
Shluger, AL;
(2010)
Mechanism of Contrast Formation in Atomic Force Microscopy in Water.
PHYS REV LETT
, 105
(19)
, Article 196101. 10.1103/PhysRevLett.105.196101.
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Wimmer, Y;
El-Sayed, A-M;
Goes, W;
Grasser, T;
Shluger, AL;
(2016)
Role of hydrogen in volatile behaviour of defects in SiO2-based electronic devices.
Proceedings of the Royal Society A
, 472
(2190)
, Article 2016009. 10.1098/rspa.2016.0009.
|
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Wing, D;
Strand, J;
Durrant, T;
Shluger, AL;
Kronik, L;
(2020)
Role of long-range exact exchange in polaron charge transition levels: The case of MgO.
Physical Review Materials
, 4
(8)
, Article 083808. 10.1103/physrevmaterials.4.083808.
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Yuan, S;
Kantorovich, L;
Shluger, AL;
Bevan, KH;
(2022)
Atomistic insight into the formation dynamics of charged point defects: A classical molecular dynamics study of Formula Presented-centers in NaCl.
Physical Review Materials
, 6
(1)
, Article 015404. 10.1103/PhysRevMaterials.6.015404.
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Proceedings paper
|
Bersuker, G;
Farmer, J;
Veksler, D;
El-Sayed, AM;
Durrant, T;
Gao, DZ;
Shluger, A;
(2023)
Materials-to-applications evaluation framework: assessing memristor technologies for neural network implementations.
In:
Proceedings of the IEEE Nanotechnology Materials and Devices Conference (NMDC) 2023.
(pp. pp. 603-607).
Institute of Electrical and Electronics Engineers (IEEE)
|
|
Farmer, J;
Whitehead, W;
Hall, A;
Veksler, D;
Bersuker, G;
Gao, D;
El-Sayed, A-M;
... Sen, R; + view all
(2021)
Mitigating switching variability in carbon nanotube memristors.
In:
Proceedings of the IEEE International Reliability Physics Symposium (IRPS) 2021.
Institute of Electrical and Electronics Engineers (IEEE)
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Fotopoulos, V;
Shluger, A;
(2024)
Simulation of mechanical effects of hydrogen in bicrystalline Cu using DFT and bond order potentials.
In:
Procedia Structural Integrity.
(pp. pp. 356-365).
Elsevier
|
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Fotopoulos Fotis, Vasileios;
O'Hern, Corey S;
Shluger, Alexander L;
(2023)
Molecular Dynamics Simulations of the Thermal Evolution of Voids in Cu Bulk and Grain Boundaries.
In: The Minerals, Metals & Materials Society, (ed.)
TMS 2023 152nd Annual Meeting & Exhibition Supplemental Proceedings.
(pp. pp. 1001-1010).
Springer: Cham, Switzerland.
|
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Freire, Teofilo Cobos;
Mahapatra, Souvik;
Shluger, Alexander L;
(2025)
Atomistic Simulation of Defect Processes Involved in the Reaction-Diffusion-Drift Model of NBTI.
In:
2024 IEEE International Integrated Reliability Workshop (IIRW).
(pp. pp. 1-4).
IEEE: South Lake Tahoe, CA, USA.
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Gao, DZ;
Strand, J;
El-Sayed, A-M;
Shluger, AL;
Padovani, A;
Larcher, L;
(2018)
Role of electron and hole trapping in the degradation and breakdown of SiO2 and HfO2 films.
In:
2018 IEEE International Reliability Physics Symposium (IRPS).
IEEE: Burlingame, CA, USA.
|
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Padovani, A;
Torraca, PL;
Larcher, L;
Strand, J;
Shluger, A;
(2023)
Modeling Degradation and Breakdown in SiO2 and High-k Gate Dielectrics.
In:
Proceedings of the International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) 2023.
(pp. pp. 93-96).
Institute of Electrical and Electronics Engineers (IEEE)
|
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Padovani, Andrea;
Torraca, Paolo La;
Strand, Jack;
Shluger, Alexander;
Milo, Valerio;
Larcher, Luca;
(2023)
Towards a Universal Model of Dielectric Breakdown.
In:
2023 IEEE International Reliability Physics Symposium (IRPS).
IEEE: Monterey, CA, USA.
|
|
Patel, K;
Cottom, J;
Bosman, M;
Kenyon, AJ;
Shluger, AL;
(2018)
Theoretical Study of Ag Interactions in Amorphous Silica RRAM Devices.
In:
Proceedings of the 2018 IEEE International Symposium on the Physical and Failure Analysis of Integrated Circuits (IPFA).
IEEE
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Pešić, Milan;
Beltrando, Bastien;
Padovani, Andrea;
Gangopadhyay, Shruba;
Kaliappan, Muthukumar;
Haverty, Michael;
Villena, Marco A;
... Shluger, Alexander L; + view all
(2021)
Variability sources and reliability of 3D-FeFETs.
In:
2021 IEEE International Reliability Physics Symposium (IRPS).
IEEE: Monterey, CA, USA.
|
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Pešić, Milan;
Padovani, Andrea;
Rollo, Tommaso;
Beltrando, Bastien;
Strand, Jack;
Agrawal, Parnika;
Shluger, Alexander;
(2022)
Variability and disturb sources in ferroelectric 3D NANDs and comparison to Charge-Trap equivalents.
In:
2022 IEEE International Memory Workshop (IMW).
IEEE: Dresden, Germany.
|
|
Ramo, DM;
Shluger, AL;
(2008)
Structure and spectroscopic properties of Oxygen divacancy in yttrium-stabilized zirconia.
In: Dovesi, R and Orlando, R and Roetti, C, (eds.)
Ab initio Simulation of Crystalline Solids: History and Prospects.
(pp. 12022 - 12022).
Iop publishing ltd: London, UK.
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Shluger, AL;
Gavartin, JL;
Szymanski, MA;
Stoneham, AM;
(2000)
Atomistic modelling of radiation effects: Towards dynamics of exciton relaxation.
In:
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS.
(pp. 1 - 12).
ELSEVIER SCIENCE BV
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Stoneham, AM;
Gavartin, J;
Shluger, AL;
Kimmel, AV;
Ramo, DM;
Ronnow, HM;
Aeppli, G;
(2007)
Trapping, self-trapping and the polaron family.
In:
JOURNAL OF PHYSICS-CONDENSED MATTER.
(pp. pp. 1-22).
IOP PUBLISHING LTD
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|
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Strand, J;
Shluger, A;
(2019)
Correlated Defect Creation in HfO2 films.
In:
2018 International Integrated Reliability Workshop (IIRW).
(pp. pp. 19-20).
IEEE: South Lake Tahoe, CA, USA.
|
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Working / discussion paper
|
Fotopoulos, Vasileios;
Strand, Jack;
Petersmann, Manuel;
Shluger, Alexander L;
(2023)
First principles study on the segregation of metallic solutes and non-metallic impurities in Cu grain boundary.
arXiv.org: Ithaca (NY), USA.
|
Thesis
|
Bradley, SR;
(2016)
Computational Modelling of Oxygen Defects and Interfaces in Monoclinic HfO2.
Doctoral thesis , UCL (University College London).
|
|
Halliday, MTE;
(2016)
Modelling point defects and laser-induced defect processes in CsBr/Cu photocathodes.
Doctoral thesis , UCL (University College London).
|
|
|
Konstantinou, K;
(2017)
Computational modelling of structural, dynamical and electronic properties of multicomponent silicate glasses.
Doctoral thesis , UCL (University College London).
|
|
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Mistry, Manesh V.;
(2021)
Modelling the mechanisms of nitridation of SiC based devices during anneals in NH3 and NO gases.
Doctoral thesis (Ph.D), UCL (University College London.
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