2010 Workshop"Bridging the gap between theory and experiment: which theoretical aproaches are best suited to solve real problems in nanotechnology and biology"

Workshop Program and Presentation Slides

Selected invited presentations

Years 2011-2013:

  1. B. Magyari-Kope and Y. Nishi, Modeling aspects of forming and switching in RRAM devices, including possible doping effects for improved characteristics, November 2013, NCCAVS Thin Film Users Group (TFUG) ”Advanced Memory Meeting”, San Jose, USA.
  2. B. Magyari-Kope and Y. Nishi, Ab initio calculations for RRAM devices, October 2013. 3rd InternationalWorkshop on Resistive Memories, IMEC, Leuven, Belgium.
  3. B. Magyari-Kope and Y. Nishi, Binary transition metal oxides for resistive memory applications, October 2013. International CECAM-Workshop ”Functional Oxides for Emerging Technologies”, Bremen, Germany.
  4. Blanka Magyari-Köpe, Yoshio Nishi, “Modeling the Resistive Switching Process in Transition Metal Oxide Based Non-Volatile Memory Devices”, 16th International Workshop on Computational Electronics (IWCE), Nara, Japan, June 2013.
  5. B. Magyari-Köpe. K. Kamiya, K. Shitaishi and Yoshio Nishi, "Atomic-size Effects of the Conductive Filaments Formation and Rupture in Resistance Change Based Memory Devices", December 2012, Int. Conf. Small Sci. (ICSS), Orlando, USA.
  6. (Keynote) B. Magyari-Köpe and Y. Nishi, “Recent Progress in Modeling the Operation of Resistive Switching Memory Devices”, October 2012, Electrochem. Society Meeting (ECS Prime), Honolulu, USA.
  7. S. Gupta, R. Chena, B. Vincent, D. Lin, B. Magyari-Köpe, M. Caymax, J. Dekoster, J. Harris, Y. Nishi, and K. Saraswat, "GeSn Channel n and p MOSFETs", October 2012, Electrochem. Society Meeting (ECS Prime), Honolulu, USA.
  8. B. Magyari-Köpe and Y. Nishi, “Resistive Switching in Transition Metal Oxide ReRAM Devices”, September 2012, Solid State Devices and Materials (SSDM), Kyoto, Japan.
  9. B. Magyari-Köpe and Y. Nishi, “Progress towards understanding the resistive switching process in RRAM devices”, August 2012, Flash Memory Summit, Santa Clara, USA
  10. B. Magyari-Köpe and Y. Nishi, “Recent progress in resistive switching memory”, May 2012, European Materials Research Society (EMRS) Spring Meeting, Strasbourg, France
  11. B. Magyari-Köpe and Y. Nishi, “Modeling the resistance switching mechanism in RRAM devices: the role of oxygen vacancies and impurities”, April 2012,
    Materials Research Society (MRS) Spring Meeting, San Francisco, USA.
  12. B. Magyari-Köpe and Y. Nishi, “Progress and challenges in ReRAM, April 2011,
    8th Annual Symposium on Emerging Non-Volatile Memory Technologies”, San Francisco Bay Area Nanotechnology Council, Santa Clara, CA, USA.
  13. B. Magyari-Köpe and Y. Nishi, “Ab initio simulations of the resistance switching in RRAM devices: the role of oxygen vacancies”, October 2011, 8th International Symposium on Advanced Gate Stack Technology, Bolton Landing, NY, USA.
  14. B. Magyari-Köpe and Y. Nishi, “Understanding the switching mechanism in RRAM devices and the dielectric breakdown of ultrathin high-k gate stacks from first principles calculations”, June 2011, Semiconductor Technology for Ultra Large Scale Integrated Circuits and Thin Film Transistors III, Hong-Kong, China.

Presentations at research institutes and corporations

Years 2010-2013:

  1. B. Magyari-Köpe, Ab Initio Modeling Overview, February 2013. Synopsys, Mountain View, CA, USA.
  2. B. Magyari-Köpe and Y. Nishi, Modeling the resistance switching mechanism in RRAM devices: the role of oxygen vacancies and hydrogen impurities, September 2011, Micron Technology, Boise, ID, USA.
  3. B. Magyari-Köpe and Y. Nishi, Ab initio modeling of oxygen vacancies: understanding the switching mechanism in RRAM devices and the dielectric breakdown mechanism of ultrathin high-k based CMOS gate stacks, August 2011, Intermolecular, San Jose, CA, USA.
  4. B. Magyari-Köpe and Y. Nishi, Ab initio modeling of oxygen vacancies: understanding the switching mechanism in RRAM devices and the dielectric breakdown mechanism of ultrathin high-k based CMOS gate stacks, March 2011, SEMATECH, Austin, TX, USA.
  5. B. Magyari-Köpe and Y. Nishi, Dielectric breakdown mechanism in CMOS devices and the switching mechanism in RRAM devices: the role of oxygen vacancies, December 2010.
    Corporate Research & Development Center Toshiba, Kawasaki, Tokyo, Japan.
  6. B. Magyari-Köpe and Y. Nishi, Dielectric breakdown mechanism in CMOS devices and the switching mechanism in RRAM devices: the role of oxygen vacancies, December 2010.
    RIKEN, Cross-correlated Materials Research Group, Wako, Tokyo, Japan.
  7. B. Magyari-Köpe and Y. Nishi, Dielectric breakdown mechanism in CMOS devices and the switching mechanism in RRAM devices: the role of oxygen vacancies, November 2010, University of Tsukuba, Deparment of Physics, Tsukuba, Japan.

Scientific Publications and Conference Papers

Year 2014:

  1. B. Magyari-Kope and Y. Nishi, "Resistive Memories", Book chapter in Future Intelligent Integrated Systems of the Handbook of Intelligent Nanosystems Series, 2014.

Year 2013:

  1. Duerloo, K.-A. N., Reed, E. J., “Flexural Electromechanical Coupling: a Nanoscale Emergent Property of Boron Nitride Bilayers,” Nano Letters, 13, 1681-1686, doi:10.1021/nl4001635 (2013).
  2. Ong, M. T., Duerloo, K.-A. N., Reed, E. J., “The Effect of Hydrogen and Fluorine Coadsorption on the Piezoelectric Properties of Graphene,” Journal of Physical Chemistry C, 117, 3615-3620, doi:10.1021/jp3112759 (2013).
  3. L. Zhao, S.-G. Park, B. Magyari-Kope and Y. Nishi, “Dopant Selection Rules for Desired Electronic Structure and Vacancy Formation Characteristics of TiO2 Resistive Memory”, Applied Physics Letters, vol 102, 083506 (2013).
  4. L. Zhao, S.-G. Park, B. Magyari-Köpe and Y. Nishi, “First principles modeling of charged oxygen vacancy filaments in reduced TiO2–implications to the operation of non-volatile memory devices”, Mathematical and Computer Modelling, vol. 58, 275 (2013).
  5. S. Gupta, B. Magyari-Kope, Y. Nishi, and K. C. Saraswat, "Achieving direct band gap in germanium through integration of Sn alloying and external strain," J. Appl. Phys., vol. 113, no. 7, pp. 073707-1 - 073707-7, 2013.
  6. K. X. Wang, Z. Yu, S. Sandhu and S. Fan, “Fundamental bounds on decay rates in asymmetric single-mode optical resonators,” Optics Letters, Vol. 38, No. 2, pp. 100-102, DOI 10.1364/OL.38.000100, January 15, 2013.
  7. Suyog Gupta, Robert Chen, Benjamin Vincent, Dennis Lin, Blanka Magyari-Kope, Matty Caymax, Johan Dekoster, James S Harris, Yoshio Nishi and Krishna C. Saraswat, “GeSn Channel n and p MOSFETs”, ECS Trans. v. 50, 9, 937-941, 2013.
  8. Kan-Hao Xue, Philippe Blaise, Leonardo R. C. Fonseca and Yoshio Nishi, “Prediction of semimetallic tetragonal Hf2O3 and Zr2O3 from first principles,” Physical Review Letters, Vol. 110, Issue 6, pp. 065502-065502-5 February 2013.
  9. K.-H. Xue, P. Blaise, L. R. C. Fonseca, G. Molas, E. Vianello, B. Traoré, B. De Salvo, G. Ghibaudo, and Y. Nishi, “Grain boundary composition and conduction in HfO2: An ab initio study,” Applied Physics Letters, Vol. 102, Issue 20, pp. 201908-201908-4 May 2013.
  10. Katsumasa Kamiya, Moon Young Yang, Takahiro Nagata, Seong-Geon Park, Blanka Magyari-Köpe, Toyohiro Chikyow, Keisaku Yamada, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Generalized mechanism of the resistance switching in binary-oxide-based resistive random-access memories”, Physical Review B Vol. 87, Issue 15, pp. 155201-155201-5, April 2013.
  11. Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Hiroyoshi Momida, Takahisa Ohno, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Physical guiding principles for high quality resistive random access memory stack with Al2O3 insertion layer”, Japanese Journal of Applied Physics, Vol. 52, pp. 04CD11-04CD11-4 April 2013.
  12. K.-A. N. Duerloo, M. T. Ong and E. J. Reed, “Piezoelectricity in Mono- and Bilayers of Inorganic Two-Dimensional Crystals,” 2013 MRS Spring Meeting, April 1-5, 2013, San Francisco, CA.
  13. K.-A. N. Duerloo, M. T. Ong and E. J. Reed, “Piezoelectricity in Monolayers and Bilayers of Inorganic Two-Dimensional Crystals,” NMC 2013 Workshop, May 1-3, 2013, Stanford, CA.
  14. L. A. Pellouchoud and E. J. Reed, “Optical Characterization of Shock-Induced Chemistry in the Explosive Nitromethane Using DFT and Time-Dependent DFT”, MRS Online Proceedings Library, Vol. 1582, April 2013.
  15. L. A. Pellouchoud and E. J. Reed, “Optical Characterization of Shock-Induced Chemistry in the Explosive Nitromethane Using DFT and Time-Dependent DFT”, July 2013, 12th U.S. National Congress on Computational Mechanics (USNCCM12), Raleigh, NC.
  16. L. Zhao, S.-W. Ryu, A. Hazeghi, D. Duncan, B. Magyari-Köpe and Y. Nishi, “Dopant Selection Rules for Extrinsic Tunability of HfOx RRAM Characteristics: A Systematic Study”, IEEE Symposium on VLSI Technology (VLSIT), Kyoto, Japan, June 2013.
  17. L. Zhao, S.-G. Park, B. Magyari-Kope and Y. Nishi, “First-Principles Investigations of the Metal Doping Effects in TiO2 ReRAM”, Intl. Conf. on. Solid State Dev. and Mat. (SSDM), Kyoto, Japan, September 2012.
  18. K. Sakata, S. Gupta, P. Deák, B. Magyari-Köpe, Y, Nishi, “Calculation of the effect of uniaxial and biaxial strain on the electronic structure of germanium” 2013 MRS Spring Meeting & Exhibit, San Francisco, CA., April 1-5, 2013.
  19. D. Duncan, B. Magyari-Kope, and Y. Nishi, “First Principles Modeling of HfO2 RRAM: Bulk and Interfacial Effects”, Mat. Res. Soc. Spr. Conf., DD14.12 (2013)
  20. D. Duncan, B. Magyari-Kope, and Y. Nishi, “First Principles Study of Electronic Effects in HfO2 RRAM”, Sem. Res. Corp. Spr. Rev., (2013)
  21. D. Duncan, B. Magyari-Kope, and Y. Nishi, “TiN/HfO2 RRAM: Conduction and Switching”, Nonvolatile Memory Tech. Res. Initiative Spr. Meet. (2013)
  22. Liang Zhao, Blanka Magyari-Köpe, Yoshio Nishi, “Ab-initio modeling of electron transport in TiO2 ReRAM”, Mat. Res. Soc. Spr. Conf., (2013)
  23. Liang Zhao, Blanka Magyari-Köpe, Yoshio Nishi, “First-principles modeling of the electron and ion transport in TiO2 ReRAM”, APS March Meeting, March 2013.
  24. B. Traoré, K. Xue, E. Vianello, G. Molas, A. Padovani, O. Pirrotta, L. Larcher, P. Blaise, L. Fonseca, B. De Salvo, and Y. Nishi, "Investigation of the role of electrodes on the retention performance of HfOx based RRAM cells by experiments, atomistic simulations and device physical modeling," IEEE International Reliability Physics Symposium (IRPS), April 14-18, 2013, Monterey, California, USA.
  25. S.V. Barabash, C. Chen, D. Pramanik, B. Magyari-Köpe, Y. Nishi “Kinetics of Frenkel Defect Formation in TiO2 from First Principles, MRS Online Proceedings Library, April 2013.
  26. Seo Hyoung Chang, Seungbum Hong, Myoung-Jae Lee, Soma Chattopadhyay, Tomohiro Shibata, Blanka Magyari-Kope, James A. Kaduk, Young-Bae Kim, Jeffrey A. Eastman, and Jungho Kim, “Atomic Level Design Rule for Ta-based Resistive Switching devices”, APS March Meeting, March 2013.
  27. (Best Poster Award) Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Hiroyoshi Momida, Takahisa Ohno, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Guideline for High Quality ReRAM Stack Structure”, 2013 IEEE EDS WIMNACT 37, February 18, 2013, Tokyo, Japan.
  28. (Best Poster Award) Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Hiroyoshi Momida, Takahisa Ohno, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Theoretical Investigation for High Quality Resistive Random Access Memory”, 4th Meeting of the Korean Scientitsts and Engineers Association in Japan, February 23, 2013, Tokyo, Japan.
  29. Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Hiroyoshi Momida, Takahisa Ohno, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Theoretical Investigation for Designing High Quality ReRAM”, International symposium on Simulations and Measurements for electrochemistry in Solid oxide fuel cells, March 11-12, 2013, Tokyo, Japan.
  30. Katsumasa Kamiya, Moon Young Yang, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Physics of ON-OFF Switching Mechanism of ReRAM via Oxygen Vacancy Based Conducting Channels”, American Physical Society March Meeting 2013, March 18-22, 2013, Baltimore Convention Center, Baltimore, USA.

Year 2012:

  1. J. Hsin , A. Gopinathan, and K. C. Huang. “Nucleotide-dependent conformations of FtsZ dimers and force generation observed through molecular dynamics simulations." Proc. Nat. Acad. Sci., 109:9432-9437, (2012).
  2. J.G. Cueva, J. Hsin , K.C. Huang, and M.B. Goodman. “Post-translational acetylation of alpha-tubulin Constrains protolament number in native microtubules."  Current Biology, 22:1066-1074 (2012). (A featured article and previewed by Gaertig and Wloga in the same journal issue. Recommended by Faculty of 1000, The Faculty includes 7 Nobel Prize winners, 81 fellows of The Royal Society, 12 Lasker Award winners, 146 members of the National Academy of Sciences and 104 members of the Institute of Medicine)
  3. P.M. Zimmerman, D.C. Tranca, J. Gomes, D.S. Lambrecht, M. Head-Gordon, and A.T. Bell. “Ab Initio Simulations Reveal that Reaction Dynamics Strongly Affect Product Selectivity for the Cracking of Alkanes over H-MFI”, J. Am. Chem. Soc., 134 (47), pp 19468–19476, (2012).
  4. C. Gupta, R.M. Walker, R. Gharpuray, M.M. Shulaker, Z. Zhang, M. Javanmard, R.W. Davis, B. Murmann, R.T. Howe, “Electrochemical quantum tunneling for electronic detection and characterization of biological toxins”, Proc. SPIE, 8373, 837303, (2012).
  5. L. Zhao, S.-G. Park, B. Magyari-Kope and Y. Nishi, "First principles modeling of charged oxygen vacancy filaments in reduced TiO2 implications to the operation of non-volatile memory devices", Math. and Comp. Model., 10.1016/j.mcm.2012.11.009, (2012).
  6. (Invited) K. Shiraishi, M.Y. Yang, K. Kamiya, B. Magyari-Köpe, M. Niwa, and Y. Nishi, "First Principles Guiding Principles for the Switching Process in Oxide ReRAM", Proc. IEEE Int. Conf. on Solid-State and Integr. Circuit Techn. (ICSICT), (2012).
  7. K. Kamiya, M. Yang, S. Park, B. Magyari-Kope, Y. Nishi, M. Niwa, and K. Shiraishi, "ON-OFF switching mechanism of resistive random access memories based on the formation and disruption of oxygen vacancy conducting channels", IEDM, Techn. Digest, (2012).
  8. S. Gupta, B. Vincent, B. Yang, D. Lin, F. Gencarelli, J.-Y. J. Lin, R. Chen, O. Richard, H. Bender, B. Magyari-Köpe, M. Caymax, J. Dekoster, Y. Nishi and K. C. Saraswat, "Towards High Mobility GeSn Channel nMOSFETs: Improved Surface Passivation Using Novel Ozone Oxidation Method", IEDM, Techn. Digest ( 2012).
  9. S. Gupta, B. Magyari-Köpe, Y. Nishi and . Saraswat, "Band Structure and Ballistic Electron Transport Simulations in GeSn Alloys", SISPAD, (2012).
  10. L. Zhao, S.G. Park, B. Magyari-Köpe and Y. Nishi, “First-Principles Investigations of the Metal Doping Effects in TiO2 ReRAM”, SSDM, (2012).
  11. X. Zhang, J. Mitard, L. Ragnarsson, T. Hoffmann, M.l Deal, M. Grubbs, J. Li, B. Magyari-Kope, B. Clemens, and Y. Nishi, "Theory and Experiments of the Impact of Work-Function Variability on Threshold Voltage Variability in MOS Devices", IEEE Trans. Electr. Dev. 59, 3124, (2012).
  12. K. Kamiya, M. Yang, S. Park, B. Magyari-Kope, Y. Nishi, M. Niwa, and K. Shiraishi, "ON-OFF switching mechanism of resistive random access memories based on the formation and disruption of oxygen vacancy conducting channels", Applied Physics Letters, 100, 073502, (2012).
  13. G. Grimvall, B. Magyari-Kope, V. Ozolins, and K. Persson, "Lattice instabilities in metallic elements", Reviews of Modern Physics, 84, 945 (2012).
  14. K.X. Wang, Z. Yu, V. Liu, Y. Cui, and S. Fan, "Absorption enhancement in ultra-thin crystalline silicon solar cells with anti-reflection and light trapping nanogratings", Nano Letters, 12, 1616 (2012).
  15. B. Magyari-Kope, S.G. Park, H.-D. Lee and Y. Nishi, "First principle calculations of oxygen vacancy ordering effects in resistance change memory materials incorporating binary transition metal oxides", J. Mat. Sci., 47, 7498 (2012).
  16. M.T. Ong and E.J. Reed, "Engineered Piezoelectricity in Graphene", ACS Nano, 6, 1387, (2012)
  17. E.J. Reed, "Electron-Ion Coupling in Shocked Energetic Materials", J. Phys. Chem. C, 116, 2205 (2012).
  18. D. Duncan, B. Magyari-Kope, and Y. Nishi, “Ab initio modeling of the resistance switching mechanism in RRAM devices: case study of hafnium oxide (HfO2)”, MRS Proc. 1430, 980 (2012).
  19. L. Zhao, S.G. Park, B. Magyari-Köpe and Y. Nishi, “First principles investigation of the conductive filament configuration in rutile TiO2−x ReRAM”, MRS Proc.1430,1103 (2012).
  20. A.N. Mlinar, P.M. Zimmerman, F.E. Celik, M. Head-Gordon, A. T. Bell, "Effects of Bronsted-acid site proximity on the oligomerization of propene in H-MFI", Journal of Catalysis, 288, 65 (2012).
  21. G. Tian, S. J. Teat, Z. Zhang, and L. Rao, "Sequestering of uranium from seawater: binding strenght and modes of uranyl complexes with glutarimidedioxime", Dalton Trans., Advanced Article (2012).
  22. Q. Zhang, Z. Zhang, Z. Zhu, U. Schwingenschlogl, and Y. Cui, "Exotic topological insulator states and topological phase transitions in Sb3Sb3-Bi2Se3 heterostructures", ACS Nano, 6, 2345 (2012).
  23. H. Lin, Y.W. Wen, C. X. Zhang, L. L. Zhang, Y. H. Huang, B. Shan, and R. Chen, "A GGA+U study of electronic conductivity and lithium diffusion in vanadium doped LiFePO4", Solid State Comm., 152, 999 (2012).
  24. J. Cao, Z. Xie, X.B. Duan, Y. Dong, Z. Wang, J. Xu, B. Liang, B. Shan, J. Ye, D. Chen, and G. Shen, "Visible-light-driven photocatalytic and photoelectrochemical properties of porous SnSx (x=1,2) architectures", Cryst. Eng. Comm., 14, 3163 (2012).
  25. B. Suo, A. Dong, H. Han, Y. Lei, and Y. Wang, "Theoretical study of the electronic structure of iridium monoxide", Chemical Physics Letters, (2012).
  26. R. Chen, Z. Chen, B. Ma, X. Hao, N. Kapur, J. Hyun, K. Cho, and B. Shan, "Comparison of CO adsorption on Pt(111) and Pd(111) Surfaces: A First-Principles Based Lattice Gas Monte-Carlo Study", Theoretical and Computational Chemistry, 987, 77 (2012).
  27. K.-H. Xue, Y. Nishi, P. Blaise, G. Molas, G. Ghibaudo, L. Fonseca, and B. De Salvo, “Study on oxygen vacancy chains in monoclinic hafnia for application to Resistive Random Access Memories”, 2nd International Conference on Advanced Materials Modelling (ICAMM), No. P32, Nantes, France, June 14-16 (2012).
  28. (Invited) K. Shiraishi, K. Yamaguchi, M. Yang, S. G. Park, K. Kamiya, Y. Shigeta, B. Magyari-Köpe, M. Niwa, and Y. Nishi, “Computational study toward micro electronics engineering”, Proc. 28th Int. Conf. Microel. (MIEL 2012) (2012).
  29. S. Gupta, B. Vincent, D. Lin, M. Gunji, A. Firrincieli, F. Gencarelli, B. Magyari-Köpe, B. Yang, B. Douhard, J. Delmotte, A. Franquet, M. Caymax, J. Dekoster, Y. Nishi, K. Saraswat, “GeSn channel nMOSFETs: material potential and technological outlook”, Tech. Digest, VLSI, (2012).
  30. Qi, T., Reed, E. J., “Simulations of Shocked Methane Including Self-Consistent Semiclassical Quantum Nuclear Effects” Journal of Physical Chemistry A, 116, 10451–10459, doi:10.1021/jp308068c (2012).
  31. Duerloo, K.-A. N., Ong, M. T., Reed, E. J., “Intrinsic Piezoelectricity in Two-Dimensional Materials,” Journal of Physical Chemistry Letters, 3, 2871–2876, doi:10.1021/jz3012436 (2012).
  32. Reed, E. J., Rodriguez, A. W., Manaa, M. R., Fried, L. E., Tarver, C. M., “Ultrafast detonation of hydrazoic acid (HN3),” Physical Review Letters, 109, 038301, doi:10.1103/PhysRevLett.109.038301 (2012).
  33. Reed, E. J., “Electron-Ion Interactions in Shocked Energetic Materials,” Journal of Physical Chemistry C, 116, 2205-2211, doi:10.1021/jp206769c (2012)
  34. S. Lin, L. Zhao, J. Zhang, H. Wu, Y. Wang, H. Qian, Z. Yu, “Electrochemical simulation of filament growth and dissolution in conductive-bridging RAM (CBRAM) with cylindrical coordinates”, IEEE International Electron Device Meeting (IEDM), San Francisco, CA, December 2012.
  35. S. Gupta, B. Magyari- Köpe, Y. Nishi and K. C. Saraswat, "Band Structure and Ballistic Electron Transport Simulations in GeSn Alloys," in Proc. Simul. Semicond. Processes Devices, 2012, pp. 3-6.
  36. K. X. Wang, Z. Yu, V. Liu, Y. Cui and S. Fan, “Absorption enhancement in ultrathin solar cells with antireflection and light-trapping nanocone gratings”, November 2012, The Optical Society (OSA) Renewable Energy and Environment Congress, Eindhoven, the Netherlands.
  37. Kenji Shiraishi, Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Masaaki Niwa, and Yoshio Nishi, “First Principles Guiding Principles for the Switching Process in Oxide ReRAM”, Proceedings of International Conference on Solid-State and Integrated Circuit Technology, pp. 489-492 (2012).
  38. Katsumasa Kamiya, Moon Young Yang, Blanka Magyari-Köpe, Yoshio Nishi, Masaaki Niwa, Kenji Shiraishi, “Universal Theory of ON-OFF Switching Mechanism of ReRAM via VO Based Conducting Channels”, The 31th International Conference on the Physics of Semiconductor, July 30-August 3, 2012, ETH Zurich, Zurich, Switzerland.
  39. (Topic Abstract) Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Physical Guiding Priciples for High Qualiy ReRAM Stack with Al2O3 O Vacancy Barrier Layer”, Extend Abstract of International Conference on Solid State Devices and Materials, pp. 630-631, September 25-27, 2012, Kyoto, Japan.
  40. Katsumasa Kamiya, Moon Young Yang, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Physical in designing desirable ReRAM stack structure–Atomistic Recipes Based on Oxygen Chemical Potential Control and Charge Injection/Removal”, Technical Digest – International Electron Devices Meeting, pp. 478-481, December 10-12, 2012, San Francisco CA, USA.
  41. (Invited) Kenji Shiraishi, Moon Young Yang, Katsumasa Kamiya, Hiroyoshi Momida, Blanka Magyari-Köpe, Takahisa Ohno, Masaaki Niwa, and Yoshio Nishi, “On-Off Switching Mechanism of Oxide Based ReRAM by Ab Initio Electronic Structure Calculations”, 2nd International Workshop on Resistive RAM, October 8-9, 2012, Stanford University, Stanford, USA.
  42. (Best Presentation Award) Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Theoretical Investigation of Al2O3 O Vacancy Barrier Layer for High Quality ReRAM”, 60th Autumn Meeting of the Korean Physical Society, October 24-26, 2012, Phoenixpark, Pyeongchang, Gangwondo, Korea.
  43. (Invited) Kenji Shiraishi, Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Masaaki Niwa, and Yoshio Nishi, “First Principles Guiding Principles for the Switching Process in Oxide ReRAM”, 2012 IEEE 11th International Conference on Solid-State and Integrated Circuit Technology, October 29-November 1, 2012, Paradise Resort Hotel, Xian, China.
  44. Katsumasa Kamiya, Moon Young Yang, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Atomistic Investigation of Oxygen Vacancy Conducting Filaments in TiO2-based ReRAMs”, 43rd IEEE Semiconductor Interface Specialists Conference, December 6-8, 2012, The Catamaran Hotel, San Diego, USA.
  45. Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Role of Al2O3 O Vacancy Barrier Layer in High Quality ReRAM Operation”, IEEE Semiconductor Interface Specialists Conference, December 6-8, 2012, San Diego CA, USA.
  46. Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Hiroyoshi Momida, Takahisa Ohno, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Role of Al2O3 O Vacancy Barrier Layer in Advanced ReRAM Stack Structure”, 18th Workshop of Gatestack Technology, January 25-26, 2012, Yugawara, Japan.
  47. Moon Young Yang, Katsumasa Kamiya, Blanka Magyari-Köpe, Masaaki Niwa, Yoshio Nishi, and Kenji Shiraishi, “Theoretical study for High Quality ReRAM Stack with Al2O3 O Vacancy Barrier Layer”, International Conference on Small Science, December 16-19, 2012, Orlando FL, USA.


Year 2011:

  1. D. Kong, Y. Chen, J. J. Cha, Q. Zhang, J. G. Analytis, K. Lai, Z. Liu, S. S. Hong, K. J. Koshi, S.-K. Mo, Z. Hussain, I. R. Fisher, Z.-X. Shen, Y. Cui, "Ambipolar field effect in the ternary topological insulator (Bi(x)Sb(1-x)2Te3 by composition tuning", Nature Nanotechnology, 6, 705 (2011).
  2. T. Luo, C. Zhang, Z. Zhang, Y. Zhu, and J. Li, "Rational designs of crystal solid-solution materials for lithium-ion batteries", Physica Status Solidi (b), 248, 2027 (2011).
  3. P. M. Zimmerman, Z. Zhang, and C. B. Musgrave, "Dynamic mechanisms for ammonia borane thermolysis in solvent: deviation from gas-phase minimum-energy pathways", Journal of Physical Chemistry Letters, 2, 276 (2011).
  4. B. Magyari-Kope, M. Tendulkar, S. Park, H. Lee, and Y. Nishi, "Resistive switching mechanisms in random access memory devices incorporating transition metal oxides: TiO2, NiO and Pr0:7Ca0:3MnO3", Nanotechnology, 22, 254029 (2011).
  5. S. Park, B. Magyari-Kope, and Y. Nishi, "The impact of oxygen vacancies on the formation of a conductive channel in rutile TiO2", IEEE Electron Device Letters, 32, 197 (2011).
  6. P. M. Zimmerman, F. Bell, D. Casanova, M. Head-Gordon, "Mechanism for singlet fission in pentacene and tetracene: from single exciton to two triplets", J. Am. Chem. Soc., 133, 19944 (2011).
  7. D. Stuck, T. A. Baker, P. M. Zimmerman, W. Kurlancheek, M. Head-Gordon, "On the nature of electron correlation in C60", J. Chem. Phys., 135, 194306 (2011).
  8. P. M. Zimmerman, M. Head-Gordon, A. T. Bell, "Selection and Validation of Charge and Leonard-Jones Parameters for QM/MM simulations of hydrocarbon interactions with zeolite", J. Chem. Theory Comput. 7, 1695 (2011).
  9. G. Tian, L. Martin, Z. Zhang, and L. Rao, "Thermodynamic, spectroscopic, and computational studies of lathanide complexation with diethylenetriaminepentaacetic acid: Temperature effect and coordination modes", Inorganic Chemistry, 50, 3087 (2011).
  10. Z. Z. Chen, B. Shan, R. Chen, "Electronic origin of the phase transition in ternary alloy Mo(Si1-x,Alx)2", Appl. Phys. Lett., 98, 101903 (2011).
    S. Gupta, R. Chen, B. Magyari-Kope, H. Lin, A. Nainani, Y. Nishi, J. Harris, K. C. Saraswat, "GeSn Technology: Extending the Ge Electronics Roadmap", Tech. Digest IEEE IEDM, (2011).
    B. Magyari-Kope, S. Park, H. Lee, Y. Nishi, "Understanding the switching mechanism in RRAM devices and the dielectric breakdown of ultrathin high-k gate stacks from first principles", ECS Trans. - ULSI vs TFT, 37 (2011).
  11. S. G. Park, B. Magyari-Kope, Y. Nishi, "Theoretical Study of the Resistance Switching Mechanism in Rutle TiO(2-x) for ReRAM: the role of oxygen vacancies and hydrogen impurities", Tech. Digest VLSI Tech. Symp. (2011).

Year 2010:

  1. P. M. Zimmerman, Z. Zhang, and C. B. Musgrave, "Simultaneous 2H transfer as a mechanism for efficient CO2 reduction", Inorganic Chemistry, 49, 8724 (2010).
  2. P. M. Zimmerman, Z. Zhang, and C. B. Musgrave, "Singlet fission in pentacene through multiple exiton quantum states", Nature Chemistry, 2, 648 (2010).
  3. H.-D. Lee, B. Magyari-Kope, and Y. Nishi, "Model of metallic filament formation and nupture in NiO for unipolar switching", Physical Review B, 81, 193202 (2010).
  4. S. G. Park, B. Magyari-Kope, and Y. Nishi, "Electron correlation effects in reduced rutile TiO2 within the LDA+U method", Physical Review B, 82, 115109 (2010)
  5. L. Leem, A. Srivastava, S. Li, B. Magyari-Kope, G. Iannaccone, J. S. Harris, G. Fiori, "Multi-scale simulations of partially unzipped CNT heterojunction tunneling field effect transistor", Techn. Digest, IEDM, 2010.

Year 2009:

  1. “Image Charge and Dipole Combination Model for the Schottky Barrier Tuning at the Dopant Segregated Metal/Semiconductor Interface”, L. Geng, B. Magyari-Kope,and Y. Nishi, IEEE Electron Device Letters 30, 963, 2009.
  2. “Ab initio study of Al-Ni bilayers on SiO2: Implications to effective work function modulation in gate stacks”, B. Magyari-Kope, S. Park, L. Colombo, Y. Nishi, and K. Cho, J. Appl. Phys., 105, 013711, 2009.
  3. “High quality GeO2/Ge interface formed by SPA radical oxidation and uniaxial stress engineering for high performance Ge NMOSFETs”, M. Kobayashi, T. Irisawa, B. Magyari-Kope, Y. Sun, K. Saraswat, H. -S.P.Wong, P. Pianetta and Y. Nishi, Tech. Digest of VLSI Tech. Symp. p 76, 2009.
  4. “Uniaxial Stress Engineering for High Performance Ge NMOSFETs”, M. Kobayashi, T. Irisawa, B. Magyari-Kope, Saraswat, H. S. P. Wong and Y. Nishi, , to be published in IEEETrans. Electron Devices, 2009.
  5. “Electronic correlation effects in rutile TiO2-x”, S. Park, B. Magyari-Kope, and Y. Nishi, To be submitted to Phys. Rev. B, 2009.
  6. “Lattice and electronic effects of charged defects in rutile TiO2-x from ab initio calculations”, S. Park, B. Magyari-Kope, and Y. Nishi, Mat. Res. Soc. Symp. Proc., 2009.
  7. “Excited states of methylene from quantum Monte Carlo”, Paul M. Zimmerman, Julien Toulouse, Zhiyong Zhang, Charles B. Musgrave, and C. J. Umrigar, J. Chem. Phys. 131, 124103 (2009)
  8.  “The Energetics of C-H Bonds Formed at Single-Walled Carbon Nanotubes”, Anton Nikitin, Zhiyong Zhang, and Anders Nilsson, Nano Lett., 9, 1301–1306 (2009)
  9. “Fermi Level Unpinning and Schottky Barrier Modification by Ti, Sc and V Incorporation at NiSi2/Si Interface”, L. Geng, B. Magyari-Kope, Z. Zhang, and Y. Nishi, Chinese Phys. Lett., 26(3), 037306 (2009)
  10. “The Role of Free N-Heterocyclic Carbene (NHC) in the Catalytic Dehydrogenation of Ammonia-Borane in the Nickel NHC System”, Paul M. Zimmerman, Ankan Paul, Zhiyong Zhang, and Charles B. Musgrave, Angew. Chem. Int. Ed., 48, 1-6 (2009)
  11. “Configuration Interaction Studies on the Electronic States of the CUO Molecule”, T. Yang, R. Tyagi, Z. Zhang, and Russell Pitzer, Molecular Physics, 107, 1193–1195 (2009)
  12.  “Oligomerization and autocatalysis of NH2BH2 with ammonia-borane”, Paul Zimmerman, Ankan Paul, Zhiyong Zhang, and Charles Musgrave, Inorg. Chem., 48, 1069–1081 (2009)

Year 2008:

  1. “First-principles study of resistance switching in rutile TiO2 with oxygen vacancy”, S. Park, B. Magyari-Kope, and Y. Nishi, NVMTS (Non-Volatile Memory Technology Symposium2008), 9th Annual, 1-5, 2008.
  2. “Ab Initio Modeling of Schottky Barrier Height Tuning by Yttrium at Nickel Silicide/Silicon Interface”, L. Geng, B. Magyari-Kope, Z. Zhang, and Y. Nishi, IEEE Electron Device Lett., 29, 746 (2008)
  3. “C-H Bond Formation at the Surface of Graphite Studied with Core Level Spectroscopy”, Anton Nikitin, Lars Naslund, Zhiyong Zhang, and Anders Nilsson, Surf. Sci., 602, 2575-2580 (2008)
  4. “Quantum dot properties in the multiband envelope-function approximation using boundary conditions based upon first principles quantum calculations”, Curt A. Flory, Charles B. Musgrave, and Zhiyong Zhang, Phys. Rev. B, 77, 205312 (2008)
  5. “Hydrogen Storage in Carbon Nanotubes Through the Formation of C-H Bonds”, A. Nikitin, X. Li, Z. Zhang, D. Mann, H. Ogasawara, H. Dai, and A. Nilsson, Nano Lett., 8, 162 (2008)

Contact Info

Blanka Magyari-Kope, blankamk@stanford.edu

Stanford Nanofabrication Facility

Stanford University

Stanford, CA 94305-5080