A. Editing:

  1. Linking Length Scales in the Mechanical Behavior of Materials, edited by T. J. Balk, N. Bernstein, R. E. Rudd and W. Windl (Mater. Res. Proc. 882e, Pittsburgh, 2005).
  2. Silicon Front-End Junction Formation – Physics and Technology, edited by P. Pichler, A. Claverie, R. Lindsay, M. Orlowski and W. Windl (Mater. Res. Proc. 810, Pittsburgh, 2004).

 

B. Book Chapters and Review Articles:

  1. W. Windl, Computational Nanoelectronics, in Handbook of Theoretical and Computational Nanotechnology, edited by M. Rieth and W. Schommers (American Scientific Publishers (Stevenson Ranch, CA), in preparation).
  2. W. Windl, A.A. Demkov, and O.F. Sankey, Theory of Strain and Electronic Structure of Si1-yCy and Si1-x-yGexCy alloys, in Silicon-Germanium Carbon Alloys: Growth, Properties and Applications (Optoelectronic Properities of Semiconductors and Superlattices), edited by S. T. Pantelides and S. Zollner (Taylor and Francis, New York, 2002), p. 237-289.

 

C. Refereed Journals:

1.      A. Bharathula, W. Luo, W. Windl, and K. M. Flores, Characterization of Open Volume Regions in a Simulated Cu-Zr Metallic Glass, Metall. Mat. Trans. A (in print).

2.      H. Kim, W. Windl, and D. A. Rigney, Structure and chemical analysis of aluminum wear debris: experiments and ab initio simulations, Acta Mater. 55, 6489 (2007).

3.      B. Khorsandi, M. Reisi Fard, T. E. Blue, D. Miller, and W. Windl, Monte Carlo Modeling of Count Rates and Defects in SiC Detector Neutron Monitor System, Highlighting GT-MHR, Nuclear Technology 159(2), 208-220 (2007).

4.      D. Sen and W. Windl, Ab-initio study of the energetics of the Si(001)-LaAlO3 interface, J. Comput. Theor. Nanosci. 4, 57-64 (2007).

5.      H. S. Kim and W. Windl, Efficient ab-initio calculation of the elastic properties of nanocrystalline silicon, J. Comput. Theor. Nanosci. 4, 65-70 (2007).

6.      P. Pichler, A. Burenkov, W. Lerch, J. Lorenz, S. Paul, J. Niess, Z. Nényei, J. Gelpey, S. McCoy, W. Windl, and L. F. Giles, Process-Induced Diffusion Phenomena in Advanced CMOS Technologies, Defect and Diffusion Forum 258-260, 510-521 (2006).

7.      B. Khorsandi, T. E. Blue, W. Windl, and J. Kulisek, TRIM Modeling of Displacement Damage in SiC for Monoenergetic Neutrons, Journal ASTM International 3,  JAI100358 (2006).

8.      W. Windl, Ab initio assisted process modeling for Si-based nanoelectronic devices, Mater. Sci. Eng. B, 124-125, 62 (2005).

9.      K. Ravichandran and W. Windl, Ab initio study of the effect of hydrogen and point defects on arsenic segregation at Si (100)/SiO2 interfaces, Mater. Sci. Eng. B 124-125, 359 (2005).

10. X.-Y. Liu and W. Windl, Theoretical Study of Boron Clustering in Silicon, J. Comput. Electron. 4, 203 (2005).

11. N. G. Stoddard, W. Windl, G. Duscher, and G. Rozgonyi, A New Understanding of Near-Threshold Damage for 200 kV Irradiation in Silicon, J. Mat. Sci. 40, 3639 (2005).

12. N. G. Stoddard, P. Pichler, G. Duscher, and W. Windl, Ab-Initio Identification of the Nitrogen Diffusion Mechanism in Silicon, Phys. Rev. Lett. 95, 025901 (2005).

13. K. Ravichandran and W. Windl, Ab initio study of the effect of hydrogen and point defects on arsenic segregation at Si(100)/SiO2 interfaces, Appl. Phys. Lett. 86, 152106 (2005).

14. W. Windl, T. Liang, S. Lopatin, and G. Duscher, Investigation of Nanostructured Germanium/Silicon Dioxide Interfaces, J. Comput. Theor. Nanosci. 1, 288 (2004).

15. W. Windl, T. Liang, S. Lopatin, and G. Duscher, Modeling and characterization of atomically sharp “perfect” Ge/SiO2 interfaces, Mater. Sci. Eng. B 114-115, 156 (2004).

16. W. Windl, Diffusion in Silicon and the Predictive Power of Ab-Initio Calculations, phys. stat. sol. (b) 241, 2313 (2004).

17. X.-Y. Liu, W. Windl, K. B. Beardmore, and M. P. Masquelier, First-Principles Study of Phosphorus Diffusion in Silicon: Interstitial- and Vacancy Mediated Diffusion Mechanisms, Appl. Phys. Lett. 82, 1839 (2003).

18. X.-Y. Liu, W. Windl, K. B. Beardmore, and M. P. Masquelier, First-Principles Study of Phosphorus Diffusion in Silicon: Interstitial- and Vacancy Mediated Diffusion Mechanisms, Appl. Phys. Lett. 82, 1839 (2003).

19. W. Windl, Multiscale Simulation of Diffusion, Deactivation, and Segregation of Dopants, IEICE Trans. Electron. E86C, 269 (2003).

20. B. P. Uberuaga, G. Henkelman, H. Jónsson, S. T. Dunham, W. Windl, and R. Stumpf, Theoretical Studies of Self-Diffusion and Dopant Clustering in Semiconductors, Phys. Stat. Sol. B 233, 24 (2002).

21. C.-L. Liu, W. Windl, L. Borucki, X.-Y. Liu, and S. Lu, Ab Initio Modeling and Experimental Study of B-C Interactions in Si, Appl. Phys. Lett. 80, 52 (2002).

22. W. Windl, R. Stumpf, X.-Y. Liu, and M. P. Masquelier, Ab Initio Modeling Study of Boron Diffusion in Silicon, Comput. Mater. Sc. 21, 496 (2001).

23. W. Windl, X.-Y. Liu, and M. P. Masquelier, First-Principles Modeling of Boron Clustering in Silicon, phys. stat. sol. (b) 226, 37 (2001).

24. W. Windl, M. Laudon, N. N. Carlson, and M. S. Daw, Predictive Process Simulation and Stress-Mediated Diffusion in Silicon, Computing in Sc. and Eng. 3, 92 (July/August 2001).

25. M. S. Daw, W. Windl, N. N. Carlson, M. Laudon, and M. P. Masquelier, General Treatment of the Effect of Stress on Dopant and Defect Diffusion in Si, Phys. Rev. B 64, 045205 (2001).

26. L. A. Collins, S. R. Bickham, J. D. Kress, T. J. Lenosky, N. J. Troullier, and W. Windl, Dynamical and Optical Properties of Warm Dense Hydrogen, Phys. Rev. B 63, 184110 (2001).

27. M. Laudon, N. N. Carlson, M. P. Masquelier, M. S. Daw, and W. Windl, Multiscale Modeling of Stress-Mediated Diffusion in Silicon -  Ab Initio to Continuum, Appl. Phys. Lett. 78, 201 (2001).

28. X. Y. Liu, W. Windl, and M. P. Masquelier, Ab Initio Modeling of Boron Clustering in Silicon (Erratum), Appl. Phys. Lett. 78, 2000 (2000).

29. X. Y. Liu, W. Windl, and M. P. Masquelier, Ab Initio Modeling of Boron Clustering in Silicon, Appl. Phys. Lett. 77, 2018 (2000).

30. W. Windl, M. M. Bunea, R. Stumpf, S. T. Dunham, and M. P. Masquelier, First-Principles Study of Boron Diffusion in Silicon, Phys. Rev. Lett. 83,  4345 (1999).

31. M. Fuentes-Cabrera, A. Muñoz, W. Windl, A. A. Demkov, and O. F. Sankey, Theoretical Study of Graphitic Analogs of Simple Semiconductors, Modeling and Simulation in Mater. Sc. 7, 929 (1999).

32. L. Collins, J. D. Kress, I. Kwon, W. Windl, T. J. Lenosky, N. Troullier, and R. Bauer, Quantum Molecular Dynamics Simulations of Dense Matter, J. Computer-Aided Mater. Design 5, 173 (1998).

33. M. Yan, A. F. Voter, J. D. Kress, W. Windl, and S. P. Chen, Atomistic Study of Dislocation Structures in Si with C Substitutional Defects and Vacancies, accepted for publication by Journal of Materials Research.

34. O. F. Sankey, A. A. Demkov, W. Windl, J. H. Fritsch, J. P. Lewis, and M. A. Fuentes-Cabrera, The Appli­cation of Approximate Density Functionals to Complex Systems, Int. J. Quantum Chem. 69, 327 (1998).

35. W. Windl, T. J. Lenosky, J. D. Kress, and A. F. Voter, First-Principles Investigation of Radiation-Induced Defects in Si and SiC, Nucl. Instr. and Meth. in Phys. Res. B 141, 61 (1998).

36. W. Windl, O.  F. Sankey, and J. Menéndez, Theory of Strain and Electronic Structure of Si1-yCy and Si1-x-yGexCy Alloys, Phys. Rev. B 57, 2431 (1998).

37. M. A. Meléndez-Lira, J. D. Lorentzen, J. Menéndez, W. Windl, N. G. Cave, R. Liu, J. W. Christiansen, N. D. Theodore, and J. J. Candelaria, Microscopic Carbon Distribution in Si1-yCy : A Raman Scattering Study, Phys. Rev. B 56, 3648 (1997).

38. J. D. Lorentzen, G. H. Loechelt, M. A. Meléndez-Lira, J. Menéndez, S. Sego, R. J. Culbertson, W. Windl, and O. F. Sankey, A. E. Bair, and T. Alford, Photoluminescence in Si1-x-yGexCy Alloys, Appl. Phys. Lett. 70, 2353 (1997).

39. M. Meléndez-Lira, J. Menéndez, W. Windl, O. F. Sankey, G. S. Spencer, S. Sego, R. B. Culbertson, A. Bair, and T. Alford, Carbon dependence of Raman mode frequencies in Si1-x-yGexCy alloys,  Phys. Rev. B 54, 12866 (1996).

40. D. Strauch, W. Windl, H. Sterner, P. Pavone, and K. Karch, Full Ab Initio Calculation of Second-Order Infrared and Raman Spectra of Elemental Semiconductors, Physica B 219 & 220, 442 (1996).

41. P. Pavone, R. Bauer, K. Karch, O. Schütt, S. Vent, W. Windl, D. Strauch, S. Baroni, and S. de Gironcoli,, Ab Initio Phonon Calculations in Solids, Physica B  219 &  220, 439 (1996).

42. D. Strauch, P. Pavone, N. Nerb, K. Karch, W. Windl, G. Dalba, and P. Fornasini, Atomic Thermal Vibrations in Semiconductors: Ab initio Calculations and EXAFS Measurements, Physica B  219 &  220, 436 (1996).

43. W. Windl, P. Pavone, and D. Strauch, Second-Order Raman Spectrum of AlSb from Ab Initio Phonon Calculations and Evidence for Overbending in the Highest Phonon Dispersion Branch, Phys. Rev. B  54, 8580 (1996).

44. A. A. Demkov, W. Windl, and O. F. Sankey, Expanded-Volume Phases of Silicon: Zeolites without Oxygen, Phys. Rev. B 53, 11288 (1996).

45. K. Karch, T. Dietrich, W. Windl, P. Pavone, A. P. Mayer, and D. Strauch, The Contribution of Quantum and Thermal Fluctuations to the Elastic Moduli and Dielectric Constants of Covalent Semiconductors, Phys. Rev. B 53, 7259 (1996).

46. R. Bauer, O. Schütt, P. Pavone, W. Windl, and D. Strauch, Static and Dynamical Properties of Solid Chlorine, Phys. Rev. B 51, 210 (1995).

47. K. Karch, P. Pavone, W. Windl, O. Schütt, and D. Strauch, Ab Initio Calculation of Structural and Lattice-Dynamical Properties of Silicon Carbide, Phys. Rev. B 50, 17054 (1994).

48. O. Schütt, P. Pavone, K. Karch, W. Windl, and D. Strauch, Ab Initio Lattice Dynamics and Charge Fluctuations in Alkaline-Earth Oxides, Phys. Rev. B 50, 3746 (1994).

49. W. Windl, K. Karch, P. Pavone, O. Schütt, and D. Strauch, Second-Order Raman Spectra of SiC: Experiment and Theoretical Results from Ab Initio Phonon Calculations, Phys. Rev. B  49, 8764 (1994).

50. W. Windl, P. Pavone, K. Karch, O. Schütt, D. Strauch, P. Giannozzi, and S. Baroni, Second-Order Raman Spectra of Diamond from Ab Initio Phonon Calculations, Phys. Rev. B 48, 3164 (1993).

51. P. Pavone, K. Karch, O. Schütt, W. Windl, D. Strauch, P. Giannozzi, and S. Baroni, Ab Initio Lattice Dynamics of Diamond, Phys. Rev. B 48, 3156 (1993).

 

C. Conference Proceedings:

  1. A. Martinez-Limia, C. Steen, P. Pichler, N. Gupta, W. Windl, S. Paul, and W. Lerch, Diffusion and Deactivation of As in Si: Combining Atomistic and Continuum Simulation Approaches, Proc. of the 2007 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), September 25-27, Vienna, Austria (2007).
  2. C. Steen, P. Pichler, H. Ryssel, L. Pei, G. Duscher, M. Werner, J. van den Berg, and W. Windl, Characterization of the segregation of arsenic at the SiO2/Si interface, in Semiconductor Defect Engineering – Materials, Synthetic Structures and Devices II, edited by S. Ashok, J. Chevallier, P. Kiesel, T. Ogino, Mater. Res. Soc. Symp. Proc. 994, 0994-F08-02 (2007).
  3. H. Kim, W. Windl, J. Choi, J. K. Lee, and N. K. Lee, Multiscale Simulations of the Elastic Properties of Polycrystalline Silicon, Proc. of the 9th International Conference on Numerical Methods in Industrial Forming Processes (NUMIFORM 07), Porto, Portugal, June 17-21, 2007.
  4. W. Windl, T. Liang, S. Lopatin, and G. Duscher, Characterization and Modeling of Atomically Sharp “Perfect” Si:Ge/SiO2 Interfaces, ECS Trans. 3, (7) 539 (2006).
  5. W. Windl, Ab-Initio Calculations of the Energetics and Kinetics of Defects and Impurities in Silicon, ECS Trans. 3, (4) 171 (2006).
  6. W. Luo, K. Ravichandran, W. Windl, and L. R.C. Fonseca, Contact Structure Formation in Carbon Nanotube Electronic Devices and Its Effect on Electron Transport, Proc. of the Materials Science and Technology 2006 Conference, October 15-19, 2006, Cincinnati, OH; Materials and Systems, Vol. 2 (TMS, Warrendale, PA, 2006), p. 475.
  7. B. Khorsandi, W. Windl, T.E. Blue, W. Luo, J. Kulisek, M. Reisi-Fard, V. Krishnan, 4H-SiC Based Neutron Flux Monitors in Very High Temperature Nuclear Reactors, Proc. of the Materials Science and Technology 2006 Conference, October 15-19, 2006, Cincinnati, OH; Fundamentals and Characterization, Vol. 2 (TMS, Warrendale, PA, 2006), p. 307.
  8. N. Gupta, W. Windl, L. Pei and G. Duscher, Ab initio study of arsenic pile-up at the Si/SiO2 interface, Proc. of the Materials Science and Technology 2006 Conference, October 15-19, 2006, Cincinnati, OH; Fundamentals and Characterization, Vol. 1 (TMS, Warrendale, PA, 2006), p. 359.
  9. K. Ravichandran, W. Windl, W. Luo, and L. R. C. Fonseca, Contact Structure Formation in Carbon Nanotube Electronic Devices and Its Effect on Electron Transport, Proc. of the 2006 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), September 6-8, Monterey, CA (2006).
  10. B. Khorsandi, T.E. Blue, J. Kulisek, W. Windl, and D. Miller, The Use of Monte Carlo Methods to Study the Creation and Evolution of Defects in SiC Detectors Irradiated by Neutrons, Proc. of the 2006 Radiation Protection and Shielding Division Conference, Carlsbad, NM (2006).
  11. W. Windl, B. Khorsandi, W. Luo, and T. E. Blue, SiC Based Neutron Flux Monitors for Very High Temperature Nuclear Reactors, Mater. Res. Soc. Symp. Proc. 929, 0929-II03-04 (2006).
  12. B. Khorsandi, T. E. Blue, J. Kulisek, W. Windl, and D. Miller, Production of Vacancies in SiC Detectors after Irradiation with Monoenergetic Neutrons, Transactions of the American Nuclear Society (Proc. ANS Winter Meeting, Washington, DC, 2005).
  13. B. Khorsandi, W. Windl, and T.E. Blue, Creation and Evolution of Displacement Damage in 4H-SiC, Proc. 2005 ANS Student Conference, Columbus (2005).
  14. W. Windl, Energetics and Kinetics of Defects and Impurities in Silicon from Atomistic Calculations, Gettering and Defect Engineering in Semiconductor Technology XI, Solid State Phenomena 108-109, 125-132 (2005).
  15. N. G. Stoddard, G. Duscher, W. Windl, and G. A. Rozgonyi, Simulation and electron energy-loss spectroscopy of electron beam induced point defect agglomerations in silicon, in Silicon Front-End Junction Formation-Physics and Technology, edited by P. Pichler, A. Claverie, R. Lindsay, M. Orlowski, and W. Windl  (Materials Research Society Symposium Proceedings Vol. 810) 2004 p.115-20.

16. T. Liang, W. Windl, S. Lopatin, and G. Duscher, Investigation of the Detailed Structure of Atomically Sharp Ge/SiO2 Interfaces, Proc. of the 2003 International Conference on Simulation of Semiconductor Processes and Devices, September 3-5, 2003, Boston, MA, p. 143.

17. W. Windl, Multiscale Simulation of Diffusion, Deactivation, and Segregation of Dopants – Ab-Initio to Continuum (Invited), Proc. of the 2002 International Conference on Simulation of Semiconductor Processes and Devices, September 4-6, 2002, Kobe, Japan (IEEE, Piscataway, NJ), p. 83.

18. K. B. Beardmore, W. Windl, B.P. Haley and N. Grønbech-Jensen, Diffusion Mechanisms and Capture Radii in Silicon, in Proc. 2002 International Conference on Computational Nanoscience, (Computational Publications, Cambridge, MA 2002), p. 466.

19. C.-L. Liu, W. Windl, L. Borucki, S. Lu, and X.-Y. Liu, Ab Initio Modeling of B-C Interactions in Si, in Si Front-End Processing – Physics and Technology of Dopant-Defect Interactions III, edited by E. C. Jones, K. S. Jones, M. D. Giles,P. Stolk, J. Matsuo, (Mater. Res. Soc. Proc. 669, Warrendale, PA, 2002), p. J4.6.1.

20. M. S. Daw, W. Windl, and M. Laudon, General Treatment of the Effect of Stress on Defect Diffusion in Si, in Proc. 2001 International Conference on Computational Nanoscience, (Computational Publications, Cambridge, MA 2001), p. 96.

21. B. P. Uberuaga, G. Henkelman, S. T. Dunham, R. Stumpf, W. Windl, and H. Jónsson, Theoretical Investigations of Diffusion and Clustering in Semiconductors, in Proc. 2001 International Conference on Computational Nanoscience, (Computational Publications, Cambridge, MA 2001), p. 100.

22. W. Windl, X.-Y. Liu, and M. P. Masquelier, Ab Initio Modeling of B Clustering in Si, in Proc. 2001 International Conference on Computational Nanoscience, (Computational Publications, Cambridge, MA 2001), p. 112.

23. W. Windl, M. S. Daw, M. Laudon, N. N. Carlson, and M. P. Masquelier, Multiscale Modeling of Stress-Mediated Diffusion in Silicon - Ab Initio to Continuum, Proc. 3rd International Conference on Modeling and Simulation of Microsystems, (Computational Publications, Cambridge, MA 2000), p. 15.

24. W. Windl, M. M. Bunea, R. Stumpf, S. T. Dunham, and M. P. Masquelier, Ab-initio pseudopotential calculations of boron diffusion in silicon, in Silicon Front-End Processing, edited by H-J. L.  Gossmann et al., (Mater. Res. Proc. 568, Pittsburgh, 1999), p. 91.

25. W. Windl, M. M. Bunea, R. Stumpf, S. T. Dunham, and M. P. Masquelier, Ab-initio pseudopotential calculations of boron diffusion in silicon, in Proc. 2nd International Conference on Modeling and Simulation of Microsystems, (Computational Publications, Cambridge, MA 1999), p. 369.

26. J. J. Dong, O. F. Sankey, A. A. Demkov, G. K. Ramachandran, J. Gryko, P. McMillan, and W. Windl, Theoretical Calculation of the Vibrational Modes in Ge46 Clathrate and Related MxGayGe46-y Type Clathrates, in Thermoelectric Materials 1998, edited by T. M. Tritt, H. B. Lyon, Jr., G. Mahan, and M. G. Kanatzidis (Mater. Res. Proc. 545, Pittsburgh, PA 1999), p. 443.

27. W. Windl and O. F. Sankey, First-Principles Investigation of the Ordered Si4C Compound, in III-V and IV-IV Materials and Processing Challenges for Highly Integrated Microelectonics and Optoelectronics, edited by S. A. Ringel, E. A. Fitzgerald, I. Adesida, and D. Houghton (Mater. Res. Proc. 535, Pittsburgh, PA 1999), p. 299.

28. W. Windl and A. A. Demkov, First-Principles Study of N Impurities in SiC Polytypes, in Defect and Impurity Engineered Semiconductors and Devices II, edited by S. Ashok, J. Chevallier, K. Sumino, B. L. Sopori, and W. Goetz (Mater. Res. Proc. 510, Pittsburgh, PA 1998), p. 181.

29. W. Windl, T. J. Lenosky, J. D. Kress, and A. F. Voter, Theoretical Study of Point-Defect Production in Si and SiC, in Semiconductor Process and Device Performance Modeling, edited by J. S. Nelson and S. T. Dunham (Mater. Res. Proc. 490, Pittsburgh, PA 1998), p. 41.

30. L. Collins, J. D. Kress, T. J. Lenosky, I. Kwon, N. Troullier, R. Bauer, and W. Windl, Modeling of Dense Materials, Proceedings of the February, 1998 JOWOG (Joint Working Group) 37, Los Alamos.

31. R. Bauer, W. Windl, L. Collins, J. Kress, and I. Kwon, Rare Gases under High Compression, in 11th IEEE International Pulsed Power Conference, Digest of Technical Papers, ed. by G. Cooperstein and I. Vitkovitsky, (1997).

32. W. Windl, J. D. Kress, A. F. Voter, J. Menéndez, and O. F. Sankey, Influence of the Local Microstructure on the Macroscopic Properties of Si1-x-yGexCy Alloys, in Defects and Diffusion in Silicon Processing, edited by S. Coffa, T. Diaz de la Rubia, P. A. Stolk, and C. S. Rafferty (Mater. Res. Proc.  469, Pittsburgh, PA 1997), p. 443.

33. K. Karch, A. P. Mayer, T. Dietrich, G. Lang, W. Windl, P. Pavone, D. Strauch, and F. Bechstedt, Anharmonic Contributions to Elastic and Optical Properties of Covalent Semiconductors, in Proceedings of the 23rd International Conference on the Physics of Semiconductors, 21-26 July 1996, Berlin, Germany, vol. 1., edited by M. Scheffler and R. Zimmermann (Singapore, World Scientific, 1996), p. 301.

34. W. Windl, P. Pavone, K. Karch, and D. Strauch, Full Ab Initio Calculation of Second-Order Raman Spectra in Semiconductors, in Proceedings of the 1994 Satellite Symposium on “Thirty Years of Density-Functional Theory”, Cracow, Poland, 1994, Int. J. Quantum Chem. 56, 787 (1995).

35. K. Karch, P. Pavone, W. Windl, D. Strauch, and F. Bechstedt, Ab Initio Calculation of Structural, Lattice Dynamical, and Thermal Properties of Cubic Silicon Carbide, in Proc. of the 1994 Satellite Symposium on  “Thirty Years of Density-Functional Theory”', Cracow, Poland, 1994, Int. J. Quantum Chem. 56, 801 (1995).

 

D. Dissertation:

      W. Windl, Ab-initio-Berechnung von Raman-Spektren in Halbleitern (CH-Verlag, Regensburg, 1995, ISBN 3-927730-59-9).