Papers Published in Refereed Journals

(most recent first)

104. H. T. Stokes, S. van Orden, and B. J. Campbell, "ISOSUBGROUP: an Internet Tool for Generating Isotropy Subgroups of Crystallographic Space Groups" J. Appl Cryst. 49, 1849-1853 (2016).

103. J. W. Lewis, J. L. Payne, I. R. Evans, H. T. Stokes, B. J. Campbell, J. S. O. Evans, "An Exhaustive Symmetry Approach to Structure Determination: Phase Transitions in Bi2Sn2O7." J. Amer. Chem. Soc. 138, 8031-8042 (2016).

102. C. Mshumi, C. I. Lang, L. R. Richey, K. C. Erb, C. W. Rosenbrock, L. J. Nelson, R. R. Vanfleet, H. T. Stokes, B. J. Campbell, G. L. W. Hart, "Revisiting the CuPt3 Prototype and the L13 Structure." Acta Materialia 73, 326-336 (2014).

101. M. Muller, R. E. Dinnebier, A.-C. Dippel, H. T. Stokes, and B. J. Campbell, "A Symmetry-Mode Description of Rigid-Body Rotations in Crystalline Solids: A Case Study of Mg(H2O)6RbBr3." J. Appl. Cryst. 47, 532-538 (2014).

100. C. J. Howard, B. J. Campbell, H. T. Stokes, M. A. Carpenter, and R. I. Thomson, "Crystal and Magnetic Structures of Hexagonal YMnO3." Acta Cryst. B 69, 534-540 (2013).

99. H. T. Stokes, B. J. Campbell, and R. Cordes, "Tabulation of Irreducible Representations of the Crystallographic Space Groups and Their Superspace Extensions." Acta Cryst. A. 69, 388-395 (2013).

98. A. O. Lyakhov, A. R. Oganov, H. Stokes, and Q. Zhu, "New Developments in Evolutionary Structure Prediction Algorithm USPEX." Computer Phys. Comm. 184, 1172-1182 (2013).

97. S. van Smaalen, B. J. Campbell, and H. T. Stokes, "Equivalence of Superspace Groups." Acta Cryst. A, 69, 75-90 (2013).

96. Q. Zhu, A. Oganov, C. Glass, and H. Stokes, "Constrained Evolutionary Algorithm for Structure Prediction of Molecular Crystals: Methodology and Applications." Acta Cryst. B, 68, 215-226 (2012).

95. S. Curtarolo, W. Setyawan, G. L. W. Hart, M. Jahnatek, R. V. Chepulskii, R. H. Taylor, S. Wang, J. Xue, K. Yang, O. Levy, M. J. Mehl, H. T. Stokes, D. O. Demchenko, and D. Morgan, "AFLOW: An Automatic Framework for High-Throughput Materials Discovery," Computational Materials Science, 58, 218-226 (2012).

94. S. Kerman, B. J. Campbell, K. K. Satyavarapu, H. T. Stokes, F. Perselli and J. S. O. Evans, "The Superstructure Determination of Displacive Distortions via Symmetry-Mode Analysis." Acta Cryst. A, 68, 222-234 (2012).

93. B. P. Burton, A. van de Walle and H. T. Stokes, "First Principles Phase Diagram Calculations for the Octahedral-Interstitial System ZrOX, 0<=X<=1/2." J. Phys. Soc. Japan 81 014004-1-7 (2012).

92. K. Esfarjani, G. Chen, and H. T. Stokes, "Heat Transport in Silicon from First Principles Calculations." Phys. Rev. B, 84, 085204-1-11 (2011).

91. H. T. Stokes, B. J. Campbell, and S. van Smaalen, "Generation of (3+d)-Dimensional Superspace Groups for Describing the Symmetry of Modulated Crystalline Structures." Acta Cryst. A, 67, 45-55 (2011).

90. B. Xu, H. Stokes, and J. Dong, "First-Principles Calculation of Kinetic Barriers and Metastability for the Corundum-to-Rh2O3(II) Transition in Al2O3." J. Phys. Condens. Matter 22, 315403-1-6 (2010).

89. L. L. Boyer, H. T. Stokes, M. M. Ossowski, and M. J. Mehl, "Self-Consistent Atomic Deformation Method for Application of Density Functional Theory." Phys. Rev. B 78, 045121-1-25 (2008).

88. K. Esfarjani and H. T. Stokes, "Method to Extract Anharmonic Force Constants from First Principles Calculations." Phys. Rev. B 77, 144112-1-7 (2008). Erratum in Phys. Rev. B 86, 019904(E) (2012).

87. H. T. Stokes, J. Gunter, D. M. Hatch, J. Dong, H. Wang, and J. P. Lewis, "Bilayer Sliding Mechanism for the Wurtzite-to-Rocksalt Transition." Phys. Rev. B 76, 012102-1-4 (2007).

86. H. T. Stokes, B. J. Campbell, and D. M. Hatch, "Order Parameters for Phase Transitions to Structures with One-Dimensional Incommensurate Modulations." Acta Cryst. A 63, 365-373 (2007).

85. B. J. Campbell, H. T. Stokes, D. E. Tanner, and D. M. Hatch, "ISODISPLACE: An Internet Tool for Exploring Structural Distortions." J. Appl. Cryst. 39, 607-614 (2006).

84. S. K. Mishra, R. Rajeev, D. Pandey, and H. T. Stokes, "Resolving the Controversies about the 'Nearly Cubic' and Other Phases of Sr1-xCaxTiO3 (0<x<1): I. Room Temperature Structures." J. Phys.: Condens. Matter 18, 1885-1898 (2006).

83. D. R. Trinkle, D. M. Hatch, H. T. Stokes, R. G. Hennig, and R. C. Albers, "Systematic Pathway Generation and Sorting in Martensitic Transformations: Titanium alpha to omega." Phys. Rev. B 72, 014105-1-11 (2005).

82. D. M. Hatch, H. T. Stokes, J. Dong, J. Gunter, H. Wang, and J. P. Lewis, "Bilayer Sliding Mechanism for the Zinc-blende to Rocksalt Transition in SiC." Phys. Rev. B 71, 184109-1-9 (2005).

81. H. T. Stokes and D. M. Hatch, "FINDSYM: Program for Identifying the Space Group Symmetry of a Crystal." J. Appl. Cryst. 38, 237-238 (2005).

80. C. J. Howard and H. T. Stokes, "Structures and Phase Transitions in Perovskites - a Group-Theoretical Approach." Acta Cryst. A 61, 93-111 (2005).

79. C. J. Howard and H. T. Stokes, "Octahedral Tilting in Cation-Ordered Perovskites - a Group-Theoretical Analysis." Acta Cryst. B 60, 674-684 (2004).

78. H. T. Stokes, D. M. Hatch, J. Dong, and J. P. Lewis, "Mechanisms for the Reconstructive Phase Transition between the B1 and B2 Structure Types in NaCl and PbS." Phys. Rev. B 69, 174111-1-5 (2004).

77. H. T. Stokes and D. M. Hatch, "Symmetry of Possible Average Multidomain Structures at a Phase Transition." Ferroelectrics 292, 59-63 (2003).

76. D. M. Hatch, H. T. Stokes, and W. Cao, "Allowed Mesoscopic Point Group Symmetries in Domain Average Engineering of Perovskite Ferroelectric Crystals." J. Appl. Phys. 94, 5220-5227 (2003).

75. D. R. Trinkle, S. G. Srinivasan, D. M. Hatch, R. G. Hennig, M. D. Jones, H. T. Stokes, R. C. Albers, and J. W. Wilkins, "A New Mechanism for the alpha to omega Martensitic Transformation in Pure Titanium." Phys. Rev. Lett. 91, 025701-1-4 (2003).

74. C. Capillas, E. Kroumova, M. I. Aroyo, J. M. Perez-Mato, H. T. Stokes, and D. M. Hatch, "SYMMODES: a Software Package for Group-Theoretical Analysis of Structural Phase Transitions." J. Appl. Cryst. 36, 953-954 (2003).

73. D. M. Hatch and H. T. Stokes, "INVARIANTS: Program for Obtaining a List of Invariant Polynomials of the Order Parameter Components Associated with Irreducible Representations of a Space Group." J. Appl. Cryst. 36, 951-952 (2003).

72. H. T. Stokes, E. H. Kisi, D. M. Hatch, and C. J. Howard, "Group Theoretical Analysis of Octahedral Tilting in Ferroelectric Perovskites." Acta Cryst. B 58, 934-936 (2002).

71. L. L. Boyer, M. J. Mehl, and H. T. Stokes, "Calculation of Polarization." Phys. Rev. B 66, 092106-1-3 (2002).

70. D. M. Hatch, H. T. Stokes, R. Ranjan, Ragini, S. K. Mishra, D. Pandey, and B. J. Kennedy, "Antiferrodistortive Phase Transitions in Pb(Ti0.48Zr0.52)O3: Space Group of the Lowest Temperature Monoclinic Phase." Phys. Rev. B 65, 212101-1-3 (2002).

69. H. T. Stokes and D. M. Hatch, "Procedure for Obtaining Microscopic Mechanisms of Reconstructive Phase Transitions in Crystalline Solids." Phys. Rev. B 65, 144114-1-12 (2002).

68. D. M. Hatch and H. T. Stokes, "COPL: Program for Obtaining a Complete List of Order Parameters for a Group-Subgroup Crystalline Phase Transition." J. Appl. Cryst. 35, 379 (2002).

67. G. M. Chechin, O. A. Lavrova, V. P. Sakhnenko, H. T. Stokes, and D. M. Hatch, "New Approach to Nonlinear Dynamics of Fullerenes and Fullerites." Physics of the Solid State 44, 581-584 (2002). [Fizika Tverdogo Tela 44, 554-556 (2002).]

66. H. T. Stokes, C. Sadate, D. M. Hatch, L. L. Boyer, and M. J. Mehl, "Analysis of the Ferroelectric Phase Transition in BaAl2O4 by Group Theoretical Methods and First Principles Calculations." Phys. Rev. B 65, 064105-1-4 (2002).

65. D. M. Hatch and H. T. Stokes, "The Complete Listing of Order Parameters for a Crystalline Phase Transition: A Solution to the Generalized Landau Problem." Phys. Rev. B 65, 014113-1-4 (2002).

64. D. M. Hatch, T. Lookman, A. Saxena, and H. T. Stokes, "Systematics of Group-Nonsubgroup Transitions: Square to Triangle Transition." Phys. Rev. B 64, 060104-1-4 (2001).

63. L. L. Boyer, M. J. Mehl, W. N. Mei, C.-G. Duan, J. W. Flocken, R. A. Guenther, J. R. Hardy, H. T. Stokes, and P. J. Edwardson, "Predicted Properties of NaCaF3." in Fundamental Physics of Ferroelectrics 2000: Aspen Center for Physics Winter Workshop, pp. 364-371, edited by R. E. Cohen (American Institute of Physics, 2000).

62. W. N. Mei, L. L. Boyer, M. J. Mehl, M. M. Ossowski, and H. T. Stokes, "Calculation of Electronic, Structural and Vibrational Properties in Alkali Halides Using a Density Functional Method with Localized Densities." Phys. Rev. B 61, 11425-11431 (2000).

61. L. L. Boyer, H. T. Stokes, and M. J. Mehl, "Calculation of Polarization Using a Density Functional Method with Localized Charge." Phys. Rev. Lett. 84, 709-712 (2000).

60. G. M. Chechin, V. P. Sakhnenko, H. T. Stokes, A. D. Smith, and D. M. Hatch, "Nonlinear Normal Modes for Systems with Discrete Symmetry," Inter. J. Non-Linear Mech. 35, 497-513 (2000).

59. C. S. Hellberg, W. E. Pickett, L. L. Boyer, H. T. Stokes, and M. J. Mehl, "Ab Initio Calculation of Spin Gap Behavior in CaV4O9." J. Phys. Soc. Japan 68, 3489-3492 (1999).

58. W. E. Dibble, G. W. Hart, and H. T. Stokes, "A Pedagogical Note on the Relativistic Velocity Addition Formula," The Physics Teacher 37, 369 (1999).

57. C. J. Howard and H. T. Stokes, "Group Theoretical Analysis of Octahedral Tilting in Perovskites," Acta Cryst. B 54, 782-789 (1998). Erratum in Acta Cryst. B 58, 565 (2002).

56. L. L. Boyer, H. T. Stokes, and M. J. Mehl, "Applications of a Kohn-Sham-Like Formulation of the Self-Consistent Atomic Deformation Model," Ferroelectrics194, 173-186 (1997).

55. D. M. Hatch, R. A. Hatt, and H. T. Stokes, "Systematic Approach to the Study of Domain Twins in Ferroic Phase Transitions," Ferroelectrics191, 29-35 (1997).

54. H. T. Stokes, L. L. Boyer, and M. J. Mehl, "Spherical Self-Consistent Atomic Deformation Model for First-Principles Energy Calculations in Ionic Crystalline Solids," Phys. Rev. B 54, 7729-7736 (1996).

53. P. D. Tepesch, A. F. Kohan, G. D. Garbulsky, G. Ceder, C. Coley, H. T. Stokes, L. L. Boyer, M. J. Mehl, B. P. Burton, K. Cho, and J. Joannopoulos, "A Model to Compute Phase Diagrams in Oxides with Empirical or First-Principles Energy Methods and Application to the Solubility Limits in the CaO-MgO System," J. Amer. Ceramic Soc. 79, 2033-2040 (1996).

52. M. J. Mehl, L. L. Boyer, and H. T. Stokes, "Development of a Kohn-Sham Like Potential in the Self-Consistent Atomic Deformation Model," J. Phys. Chem. Solids 57, 1405-1407 (1996).

51. B. J. Campbell, H. T. Stokes, and J. Boerio-Goates, "NMR Study of Ammonium Magnesium Langbeinite," Phys. Rev. B 51, 11315-11318 (1995).

50. L. L. Boyer, H. T. Stokes, and M. J. Mehl, "Self-Consistent Potential Induced Breathing Model Calculations for Longitudinal Modes in MgO," Ferroelectrics 164, 177-181 (1995).

49. H. T. Stokes, "Using Symmetry in Frozen Phonon Calculations," Ferroelectrics164, 183-188 (1995).

48. H. T. Stokes, D. L. Decker, H. M. Nelson, and J. D. Jorgensen, "Structure of Potassium Cyanide at Low Temperature and High Pressure Determined by Neutron Diffraction," Phys. Rev. B 47, 11082-11092 (1993).

47. H. T. Stokes, D. M. Hatch, and H. M. Nelson, "Landau, Lifshitz, and Weak Lifshitz Conditions in the Landau Theory of Phase Transitions in Solids," Phys. Rev. B 47, 9080-9083 (1993).

46. H. T. Stokes, D. M. Hatch, and J. D. Wells, "Group-Theoretical Methods for Obtaining Distortions in Crystals: Applications to Vibrational Modes and Phase Transitions," Phys. Rev. B 43, 11010-11018 (1991).

45. H. T. Stokes and D. M. Hatch, "Coupled Order Parameters in the Landau Theory of Phase Transitions in Solids," Phase Transitions 34, 53-67 (1991).

44. H. T. Stokes, "A TeX Previewer for `Slow' Terminals," TUGboat11, 513-514 (1990).

43. D. M. Hatch, S. Ghose, and H. T. Stokes, "Phase Transitions in Leucite, KAlSi2O6. I. Symmetry Analysis with Order Parameter Treatment and the Resulting Microscopic Description" Phys. Chem. Minerals 17, 220-227 (1990).

42. D. M. Hatch and H. T. Stokes, "Group Theoretical Description of Phase Transitions in Solid Bromoform," J. Phys.: Condens. Matter2, 1121-1128 (1990).

41. D. M. Hatch and H. T. Stokes, "Comment on `Silent Soft Mode in Hexagonal Barium Titanate Observed by Hyper-Raman Scattering,'" Phys. Rev. B40, 4198-4200 (1989).

40. D. M. Hatch H. T. Stokes, K. S. Aleksandrov, and S. V. Misyul, "Phase Transitions in the Perovskitelike A2BX4 Structure," Phys. Rev. B 39, 9282-9288 (1989).

39. D. M. Hatch, H. T. Stokes, and R. M. Putnam, "Space Group Representations Induced by Local Site Symmetries," in Group Theoretical Methods in Physics, edited by H. D. Doebner, J. D. Hennig, and T. D. Palev (Springer, New York, 1988), pp.~326-333.

38. J. D. Barnett and H. T. Stokes, "Improved Student Laboratory on the Measurement of Planck's Constant Using the Photoelectric Effect," Amer. J. Phys. 56, 86-87 (1988).

37. D. M. Hatch and H. T. Stokes, "Isotropy Subgroups for Reducible Representations of Space Groups," in XV International Colloquium on Group Theoretical Methods in Physics, edited by R. Gilmore (World Scientific, Singapore, 1987), pp.~710-715.

36. D. M. Hatch and H. T. Stokes, "Classification of Octahedral Tilting Phases in the Perovskitelike A2BX4 Structure," Phys. Rev. B 35, 8509-8516 (1987). Erratum published in Phys. Rev. B 36, 7185 (1987).

35. D. M. Hatch, H. T. Stokes, and R. M. Putnam, "Symmetry Analysis of the Microstructure and Phase Transitions of a Crystallographic Space Group: Applications," Phys. Rev. B 35, 4935-4942 (1987).

34. H. T. Stokes, D. M. Hatch, and J. S. Kim, "Images of Physically Irreducible Representations of the 230 Space Groups," Acta Cryst. A, 43, 81-84 (1987).

33. H. T. Stokes, J. S. Kim, and D. M. Hatch, "Continuous Solid-Solid Phase Transitions Driven by an Eight-Component Order Parameter: Hamiltonian Densities and Renormalization-Group Theory," Phys. Rev. B 35, 388-390 (1987).

32. D. M. Hatch and H. T. Stokes, "Systematic Classification of Symmetry Changes in Solid-Solid Phase Transitions," in Computer Modeling of Phase Diagrams, edited by L. H. Bennett (Metallurgical Society, Warrendale, Pennsylvania, 1986), pp.~145-162.

31. D. M. Hatch and H. T. Stokes, "Comment on `Irrelevant Variables, Landau Expansions, and Cubic Anisotropy,'" Phys. Rev. B 33, 7811-7812 (1986).

30. D. M. Hatch and H. T. Stokes, "Phase Transitions and Renormalization Group Hamiltonian Densities in the 80 Diperiodic Space Groups," Phase Transitions 7, 87-279 (1986).

29. J. S. Kim, H. T. Stokes, and D. M. Hatch, "Classification of Continuous Phase Transitions and Stable Phases. II. Four-Dimensional Order Parameters," Phys. Rev. B 33, 6210-6230 (1986).

28. D. M. Hatch, J. S. Kim, H. T. Stokes, and J. W. Felix, "Renormalization-Group Classification of Continuous Structural Phase Transitions Induced by Six-Component Order Parameters," Phys. Rev. B 33, 6196-6209 (1986).

27. J. S. Kim, D. M. Hatch, and H. T. Stokes, "Classification of Continuous Phase Transitions and Stable Phases. I. Six-Dimensional Order Parameters," Phys. Rev. B 33, 1774-1788 (1986).

26. D. M. Hatch, H. T. Stokes, J. S. Kim, and J. W. Felix, "Selection of Stable Fixed Points by the Toledano-Michel Symmetry Criterion: Six-Component Example," Phys. Rev. B 32, 7624-7627 (1985).

25. D. M. Hatch and H. T. Stokes, "Active Representations in Crystals of Cubic Symmetry," Phys. Status Solidi B 130, 79-86 (1985).

24. H. T. Stokes and D. M. Hatch, "Equivalence among Isotropy Subgroups of Space Groups," Phys. Rev. B 31, 7462-7464 (1985).

23. H. T. Stokes and R. D. Swinney, "Model for CN- Reorientations in the Low-Temperature Phases in KCN and NaCN," Phys. Rev. B 31, 7133-7137 (1985).

22. D. M. Hatch and H. T. Stokes, "Phase Transitions in Solids of Diperiodic Symmetry," Phys. Rev. B 31, 4350-4354 (1985).

21. D. M. Hatch and H. T. Stokes, "Practical Algorithm for Identifying Subgroups of Space Groups," Phys. Rev. B 31, 2908-2912 (1985).

20. D. M. Hatch and H. T. Stokes, "Symmetry-Restricted Phase Transitions in Two-Dimensional Solids," Phys. Rev. B 30, 5156-5166 (1984).

19. H. T. Stokes and D. M. Hatch, "Group-Subgroup Structural Phase Transitions: A Comparison with Existing Tables," Phys. Rev. B 30, 4962-4967 (1984). Erratum published in Phys. Rev. B 31, 4700 (1985).

18. H. T. Stokes, D. C. Ailion, and T. A. Case, "Molecular Reorientations in the Ordered Phases of KCN and NaCN Studied by NMR," Phys. Rev. B30, 4925-4934 (1984).

17. H. T. Stokes and D. M. Hatch, "Model for the Ordered Phases in KCN and NaCN," Phys. Rev. B 30, 3845-3858 (1984).

16. H. T. Stokes, "Nuclear Magnetic Resonance Techniques for Studying Platinum Catalysts," in Catalytic Materials: Relationship between Structure and Reactivity, ACS Symposium Series 248, edited by T. E. White, R. A. Dalla Betta, E. G. Derouane, and R. T. K. Baker (American Chemical Society, Washington D.C., 1984), pp. 385-398.

15. H. T. Stokes, C. D. Makowka, P.-K. Wang, S. L. Rudaz, C. P. Slichter, and J. H. Sinfelt, "NMR Studies of Platinum Catalysts," J. Mol. Catal. 20, 321-325 (1983).

14. H. T. Stokes, H. E. Rhodes, P.-K. Wang, C. P. Slichter, and J. H. Sinfelt, "NMR of Platinum Catalysts. III. Microscopic Variation of the Knight Shifts," Phys. Rev. B 26, 3575-3581 (1982).

13. H. E. Rhodes, P.-K. Wang, C. D. Makowka, S. L. Rudaz, H. T. Stokes, C. P. Slichter, and J. H. Sinfelt, "NMR of Platinum Catalysts. II. Relaxation," Phys. Rev. B 26, 3569-3574 (1982).

12. H. E. Rhodes, P.-K. Wang, H. T. Stokes, C. P. Slichter, and J. H. Sinfelt, "NMR of Platinum Catalysts. I. Line Shapes," Phys. Rev. B26, 3559-3568 (1982).

11. H. T. Stokes, T. A. Case, and D. C. Ailion, "Evidence for Elastic Disorder in the Elastically Ordered Phase of KCN," Phys. Rev. Lett.47, 268-271 (1981).

10. H. T. Stokes, H. E. Rhodes, P.-K. Wang, C. P. Slichter, and J. H. Sinfelt, "NMR of Small Platinum Particles," in Nuclear and Electron Resonance Spectroscopies Applied to Materials Science, edited by E. N. Kaufmann and G. K. Shenoy (North-Holland, New York, 1981), pp. 253-258.

9. T. A. Case and H. T. Stokes, "Versatile Pulse Sequence Generator for Pulse NMR," J. Magn. Reson. 35, 439-445 (1979).

8. H. T. Stokes and D. C. Ailion, "Zeeman-Quadrupole Cross Relaxation between Two Nuclear Spin Species," J. Chem. Phys. 70, 3572-3576 (1979).

7. H. T. Stokes, T. A. Case, D. C. Ailion, and C. H. Wang, "NMR Observations of Molecular Motions and Zeeman-Quadrupole Cross Relaxation in 1,2-difluorotetrachloroethane," J. Chem. Phys. 70, 3563-3571 (1979).

6. H. T. Stokes and D. C. Ailion, "Nuclear-Magnetic-Resonance Methods for Identifying and Studying Diffusion of Different Spin Species in Heteronuclear Systems," Phys. Rev. B 18, 141-156 (1978).

5. H. T. Stokes, "Tuned Limiter for Receiver Amplifier in a Fast-Recovery Pulsed NMR Spectrometer," Rev. Sci. Instrum. 49, 1011-1012 (1978).

4. H. T. Stokes and D. C. Ailion, "Nuclear Magnetic Resonance in LiF: A Single Nuclear-Dipolar-Spin Temperature in Crystals with More than One Spin Species," Phys. Rev. B 16, 4746-4752 (1977).

3. H. T. Stokes and D. C. Ailion, "Nuclear Magnetic Resonance in Lithium Metal: Thermal Mixing," Phys. Rev. B 16, 3056-3060 (1977).

2. H. T. Stokes and D. C. Ailion, "New NMR Technique for Studying Diffusion in Multispin Crystals," Phys. Rev. Lett. 38, 1159-1161 (1977).

1. H. T. Stokes and D. C. Ailion, "Nuclear Double Resonance: Cross Relaxation Rates between Two Spin Species," Phys. Rev. B 15, 1271-1282 (1977).