Pantelis Kelires

Professor, Vice-Rector for Academic Affairs

Department of Mechanical Engineering and Materials Science and Engineering

Professor Pantelis C. Kelires got his B.Sc. degree (1981) in Physics from the University of Athens, Greece, and his Ph.D degree (1987) in theoretical Solid State Physics from the State University of New York, Albany (USA). He was IBM Research Division post-doctoral fellow at the world-renowned T. J. Watson Research Center, Yorktown Heights, New York (1987-89). He was elected as Assistant Professor in the Physics Department of the University of Crete (Greece) in 1989, and he got tenure as Associate Professor in 1994. He was promoted to full Professor in 2003. He was elected as Professor of Materials Science in [...]the Cyprus University of Technology in 2006. His research field is Computational Materials Science and Condensed Matter Physics, with emphasis in atomistic simulations and modelling of materials, especially in simulations of crystalline and amorphous semiconductor systems, alloys, and heterostructures. He has significantly contributed to the fields of amorphous carbon and group-IV compounds and alloys, such as SiGe and SiC. An early pioneering contribution was the use of the semi-grand canonical statistical ensemble in Monte Carlo simulations, which made it possible to study ordering/segregation phenomena in semiconductor alloys. Other pioneering contributions were made in the field of amorphous carbon (a-C) regarding its stability, elastic properties and stress state. Most notable was the development of a theory of atomic level stresses and local moduli for the analysis of intrinsic stress and local rigidity of a-C. More recently, his team has developed strong activities in the simulations of Si nanocrystals, of heteroepitaxial semiconductor quantum dots, and of nanostructured and nanocomposite carbon materials. He has given more than 70 invited talks on the above topics in major international conferences and workshops. He has organized six international conferences related to crystalline and amorphous heterostructures and nanostructures. He has published many papers in high-impact scientific journals of the field, such as Physical Review Letters. Prof. Kelires served as a member of the council of the European organization for computational sciences CECAM. He served as the National Representative of Cyprus to the FP7 programme of the EU in the field of "Materials, Nanosciences and Nanotechnologies". He is a distinguished Referee of the American Physical Society and a member of the editorial board of Scientific Reports (published by Nature). He is listed in the top 1% of researchers worldwide across all scientific disciplines. (https://journals.plos.org/plosbiology/article?id=10.1371/journal.pbio.3000918).

Publications

Author of about 100 articles in international peer-reviewed journals, attracting more than 3500 citations, with an H-index of 34 (Google Scholar).

Selected publications:
1. “Glassy Quasithermal Distribution of Local Geometries and Defects in Quenched Amorphous Silicon”, P. C. Kelires and J. Tersoff, Phys. Rev. Lett. 61, 562 (1988).
2. “Equilibrium Alloy Properties by Direct Simulation”, P. C. Kelires and J. Tersoff, Phys. Rev. Lett. 63, 1164 (1989).
3. “Structure and Chemical Ordering in Amorphous Silicon Carbide Alloys”, P. C. Kelires, Europhysics Letters 14, 43 (1991).
4. “Energetics and Stability of Diamondlike Amorphous Carbon”, P. C. Kelires, Phys. Rev. Lett. 68, 1854 (1992).
5. “Structural Properties and Energetics of Amorphous Forms of Carbon”, P. C. Kelires, Phys. Rev. B 47, 1829 (1993).
6. “Elastic Properties of Amorphous Carbon Networks”, P. C. Kelires, Phys. Rev. Lett. 73, 2460 (1994).
7. “Monte Carlo Studies of Ternary Semiconductor Alloys”, P. C. Kelires, Phys. Rev. Lett. 75, 1114 (1995).
8. “Energetics and Equilibrium Properties of Thin Pseudomorphic SiC Layers in Si”, P. C. Kelires and E. Kaxiras, Phys. Rev. Lett. 78, 3479 (1997).
9. “Dimer Pairing on the C-alloyed Si(001) Surface”, O. Leifeld, D. Gruetzmacher, B Mueller, K. Kern, E. Kaxiras, and P. C. Kelires, Phys. Rev. Lett. 82, 972 (1999).
10. “Intrinsic Stress and Local Rigidity in Tetrahedral Amorphous Carbon”, Phys. Rev. B 62, 15686 (2000).
11. “Thermodynamics of C Incorporation on Si(100) from Ab Initio Calculations”, I. N. Remediakis, E. Kaxiras, and P. C. Kelires, Phys. Rev. Lett. 86, 4556 (2001).
12. “Monte Carlo Studies of Stress Fields and Intermixing in Ge Quantum Dots”, P. Sonnet and P. C. Kelires, Phys. Rev. B 66, 205307 (2002).
13. “Physical Origin of Trench Formation in Ge/Si(100) Islands”, P. Sonnet and P. C. Kelires, Appl. Phys. Lett. 85, 203 (2004).
14. “Structure and Energetics of Si Nanocrystals Embedded in a-SiO2”, G. Hadjisavvas, and P. C. Kelires, Phys. Rev. Lett. 93, 226104 (2004).
15. “Insights into the Fracture Mechanisms and Strength of Amorphous and Nanocomposite Carbon”, M. G. Fyta, I. N. Remediakis, P. C. Kelires, and D. A. Papaconstantopoulos, Phys. Rev. Lett. 96, 185503 (2006).
16. “Simulations of Composite Carbon Films with Nanotube Inclusions”, M. G. Fyta and P. C. Kelires, Appl. Phys. Lett. 86, 191916 (2005).
17. “Probing the Structure and Energetics of Dislocation Cores in Sige Alloys through Monte Carlo Simulations”, I. N. Remediakis, D. E. Jesson, and P. C. Kelires, Phys. Rev. Lett. 97, 255502 (2006).
18. “Self-assembly and Ordering Mechanisms of Ge Islands on Prepatterned Si(001)”, A. Pascale, I. Berbezier, A. Ronda, and P. C. Kelires, Physical Review B 77, 075311 (2008).
19. “Softening of Ultra-Nanocrystalline Diamond at Low Grain Sizes”, I. N. Remediakis, G. Kopidakis, and P. C. Kelires, Acta Materialia 56, 5340 (2008).
20. “Suppression of Intermixing in Strain-Relaxed Epitaxial Layers”, T. Leontiou, J. Tersoff, and P. C. Kelires, Phys. Rev. Lett. 105, 236104 (2010).
21. “Ordering Mechanisms in Epitaxial SiGe Nanoislands”, G. Vantarakis, I. N. Remediakis, and P. C. Kelires, Phys. Rev. Lett. 108, 176102 (2012).
22. “Optical and Elastic Properties of Diamond-like Carbon with Metallic Inclusions: A Theoretical Study”, G. Tritsaris, C. Mathioudakis, P. C. Kelires, and E. Kaxiras, J. Appl. Phys. 112, 103503 (2012).
23. “Atomistic Simulations of Low-Density Nanoporous Materials: Carbon Nanofoams”, C. Mathioudakis and P. C. Kelires , Physical Review B 87, 195408 (2013).
24. “Stress State of Embedded Si Nanocrystals”, K. Kleovoulou and P. C. Kelires, Physical Review B 88, 085424 (2013).
25. “Composition and Stress of SiGe Nanostructures on Curved Substrates”, T. Leontiou and P. C. Kelires, Physical Review B 93, 125307 (2016).
26. “Modeling of Three-Dimensional Nanographene”, C. Mathioudakis and P. C. Kelires , Nanoscale Research Letters 11, 151 (2016).
27. “Temperature dependence of the optical properties of silicon nanocrystals”, M. Zacharias and P. C. Kelires, Physical Review B 101, 245122 (2020).
28. “Quantum Confinement of Electron−Phonon Coupling in Graphene Quantum Dots”, M. Zacharias and P. C. Kelires, J. Phys. Chem. Lett. 2021, 12, 9940−9946.
29. “Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids”, M. Zacharias et. al., Phys. Rev. Lett. 127, 207401 (2021).

Research Interests

Computational Materials Science – Condensed Matter Physics; Structural and optoelectronic properties of crystalline and amorphous materials; Nanomaterials (quantum dots, nanostructured and nanocomposite materials, nanocrystals); Optoelectronic properties of amorphous and nanostructured carbon; Phase transitions, order-disorder phenomena (phase diagrams of crystalline alloys); Stability of superlattices and heterostructures; Chemical ordering in alloyed systems; Expertise in Monte Carlo simulations, development of novel algorithms (introduction of the semi-grand canonical ensemble to equilibrate semiconductor alloys); Tight-binding molecular dynamics and ab initio methods; Statistical approach to problems of disorder; Atomic scale properties (local stresses, introduction of atomic bulk modulus).

Research activity and research funding

ESPRIT Basic Research EU Program, Project 7128: “Ultrathin Si/Ge Microstructures”, (167000 ECU, 9/1992 – 9/1995).
Human Capital and Mobility ΕΕC Program, Project 0355: “Heterostructures on Si for Integrated Optoelectronics”, (35000 ECU, 11/1993 – 10/1996).
GSRT, ΕΠΕΤ ΙΙ, Greece: “Calculations of Properties of New Crystalline and Amorphous Materials”, (31,117,160 GRD, 1/1999 – 12/2001).
EU Research Training Network, Project RTN1-1999-00368: “SiGeC Nanostructures: a New Path to Si-based Optoelectronics”, (192000 Euro, 3/2000 – 3/2004).
ΥΠΕΠΘ, Programme “ΗΡΑΚΛΕΙΤΟΣ”, Greece: “Theoretical Investigation of Nanostructured Semiconductors by Monte Carlo and ab initio Methods”, (32000 Euro, 5/2003 – 5/2006).
ΥΠΕΠΘ, Programme “ΠΥΘΑΓΟΡΑΣ”, Greece: “Theoretical/Computational Study of Nanostructured Carbon Phases, a Multiscale Approach”, (75000 Euro, 3/2004 – 12/2007.
Research Promotion Foundation (RPF), Programme “New Infrastructure”, Cyprus: “Theoretical/Simulational Studies of Novel Carbon Nanostructures”, (115000 Euro, 1/2007 – 7/2010).
RPF, Programme “ΔΙΔΑΚΤΩΡ”, Cyprus: “Theory and Simulations of Si and Ge Nanocrystals in a Dielectric Amorphous Matrix”, (135000 Euro, 12/2008 – 12/2011).
RPF, Programme “New Infrastructure-Strategic Infrastructure Programs”, Cyprus: “Research Unit for Nanostructured Materials Systems”, (2,000,000 Euro, 11/2010 – 06/2015).

Pantelis Kelires

Τεχνολογικό Πανεπιστήμιο Κύπρου

Professor, Vice-Rector for Academic Affairs

Professor Pantelis C. Kelires got his B.Sc. degree (1981) in Physics from the University of Athens, Greece, and his Ph.D degree (1987) in theoretical Solid State Physics from the State University of New York, Albany (USA). He was IBM Research Division post-doctoral fellow at the world-renowned T. J. Watson Research Center, Yorktown Heights, New York (1987-89). He was elected as Assistant Professor in the Physics Department of the University of Crete (Greece) in 1989, and he got tenure as Associate Professor in 1994. He was promoted to full Professor in 2003. He was elected as Professor of Materials Science in the Cyprus University of Technology in 2006. His research field is Computational Materials Science and Condensed Matter Physics, with emphasis in atomistic simulations and modelling of materials, especially in simulations of crystalline and amorphous semiconductor systems, alloys, and heterostructures. He has significantly contributed to the fields of amorphous carbon and group-IV compounds and alloys, such as SiGe and SiC. An early pioneering contribution was the use of the semi-grand canonical statistical ensemble in Monte Carlo simulations, which made it possible to study ordering/segregation phenomena in semiconductor alloys. Other pioneering contributions were made in the field of amorphous carbon (a-C) regarding its stability, elastic properties and stress state. Most notable was the development of a theory of atomic level stresses and local moduli for the analysis of intrinsic stress and local rigidity of a-C. More recently, his team has developed strong activities in the simulations of Si nanocrystals, of heteroepitaxial semiconductor quantum dots, and of nanostructured and nanocomposite carbon materials. He has given more than 70 invited talks on the above topics in major international conferences and workshops. He has organized six international conferences related to crystalline and amorphous heterostructures and nanostructures. He has published many papers in high-impact scientific journals of the field, such as Physical Review Letters. Prof. Kelires served as a member of the council of the European organization for computational sciences CECAM. He served as the National Representative of Cyprus to the FP7 programme of the EU in the field of "Materials, Nanosciences and Nanotechnologies". He is a distinguished Referee of the American Physical Society and a member of the editorial board of Scientific Reports (published by Nature). He is listed in the top 1% of researchers worldwide across all scientific disciplines. (https://journals.plos.org/plosbiology/article?id=10.1371/journal.pbio.3000918).

Κύπρος

pantelis.kelires@cut.ac.cy

25002559

Pantelis Kelires

Professor, Vice-Rector for Academic Affairs

pantelis.kelires@cut.ac.cy

25002559

http://www.cut.ac.cy/runms

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Publications

Research Interests

Research activity and research funding

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