Theoretical Physics
Dr. R. Jones publications by date

If you have trouble locating any of these papers please contact an author for a reprint. A few of the later Dr. R. Jones papers are available as on line Postscript documents.

Theoretical and Isotopic Infrared Absorption Investigations of Nitrogen-Oxygen Defects in Silicon
R. Jones, C. Ewels, J. Goss, J. Miro, P. Deák, S. Öberg, F. Berg Rasmussen
Semicond. Sci. and Tech. 9, 2145-48, 1994. Postscript Abstract

Nitrogen in Germanium : Identification of the pair defect
F. Berg Rasmussen, R. Jones, S. Öberg
Phys. Rev. B 50, 4378-84, 1994.

Neutralisation of Group VI donors by hydrogen in gallium arsenide
R. Rahbi, B. Theys, R. Jones, B. Pajot, S. Öberg, K. Somogyi, M. L. Fille,J. Chevallier
Solid State Communications 91, 187-90, 1994.

Ab Initio Calculations of Anharmonicity of the C-H stretch mode in HCN and GaAs
R. Jones, J. Goss, C. Ewels, S. Öberg
Phys. Rev. B 50, 8378-88, 1994. Abstract Postscript

Identification of the Dominant Nitrogen Defect in Silicon
R. Jones, S. Öberg, F. Berg Rasmussen, B. Bech Nielsen
Phys. Rev. Lett. 72, 1882-5, 1994.

Impurity Effects on the Dislocation Structure in GaAs
P. Sitch, R. Jones, M. I. Heggie, S. Öberg
Solid State Phenomena 35-36, 501-6, 1994.

The energetics of hydrogenic reactions at diamond surfaces calculated by a local spin-density functional theoretical method
C. D. Latham, M. I.Heggie, R. Jones, P. Briddon
Diamond and Related Materials 3, 1370-74, 1994.

Hydrogen Passivated Carbon Acceptors in GaAs and AlAs : No evidence for Carbon Donors
R. C. Newman, B. R. Davidson, R. E. Pritchard, T. J. Bullough, T. B. Joyce, R. Jones, S. Öberg
MRS Res. Soc. Symp. Proc. Vol. 325, 241-6, Mat. Res. Soc., 1994.

Passivation and Reactivation of P,H pairs in Si
S. K. Estreicher, R. Jones
ICDS-17 ed J. Jantsch, Materials Science Forum 143-47, Trans Tech Publications, Zürich, p.1215-1220, 1994.

Theory of Nitrogen Aggregates in Diamond : the H3 and H4 defects
R. Jones, V. J. B. Torres, P. R. Briddon, S. Öberg
ICDS-17 ed J. Jantsch, Materials Science Forum 143-47, Trans Tech Publications, Zürich, p.45-50, 1994.

Theory of Carbon Complexes in Gallium and Aluminium Arsenide
R. Jones, S. Öberg
ICDS-17 ed J. Jantsch, Materials Science Forum 143-47, Trans Tech Publications, Zürich, p.253-8, 1994.

Theory of Dislocations in Gallium Arsenide
R. Jones, P. Sitch, S. Öberg, M. I. Heggie
ICDS-17 ed J. Jantsch, Materials Science Forum 143-47, Trans Tech Publications, Zürich, p.143-7, 1994.

The nitrogen pair in crystalline Silicon studied by Ion Channelling
F. Berg Rasmussen, B. Bech Nielsen, R. Jones, S. Öberg
ICDS-17 ed J. Jantsch, Materials Science Forum 1221-26, Trans Tech Publications, Zürich, p.143-7, 1994.

Observation and Theory of the H2 defect in Silicon
B. Bech Nielsen, J. D. Holbech, R. Jones, P. Sitch, S. Öberg
ICDS-17 ed J. Jantsch, Materials Science Forum 845-52, Trans Tech Publications, Zürich, p.143-7, 1994.

Ab Initio Cluster Calculations of Defects in Solids
R. Jones
New Methods for Modelling Processes within Solids and at their Surfaces ed C. R. A. Catlow, A. M. Stoneham, and Sir John Meurig Thomas, Oxford Science Publications, New York, p.157-163, 1993.

First Principles Calculations of Chemical Reactions at Diamond Surfaces
R. Jones
Proceedings of the Diamond Conference Bristol, p.26, 1993.

Theory of Nitrogen Aggregates in Diamond : the H3 and H4 Defects
R. Jones, V. J. B. Torres, P. R. Briddon, S. Öberg
Proceedings of the Diamond Conference Bristol, p.42, 1993.

The H2 Defect in Crystalline Silicon
J. D. Holbech, B. Bech Nielsen, R. Jones, P. Sitch, S. Öberg
Phys. Rev. Lett. 71, 875-8, 1993.

Theory of Carbon in Aluminium Arsenide
R. Jones, S. Öberg
Phys. Rev. B 49, 5306-12, 1994.

First-Principles Calculations of Dislocations in Semiconductors
R. Jones, A. Umerski, P. Sitch, M. I. Heggie, S. Öberg
Phys. Stat. Sol., (a) 137, 389-99, 1993.

Ab Initio Total Energy Calculations of Impurity Pinning in Silicon
M. I. Heggie, R. Jones, A. Umerski
Phys. Stat. Sol., (a) 138, 383-7, 1993.

Ab initio Energetics of CVD growth Reactions on the Three Low-Index Surfaces of Diamond
C. D. Latham, M. I. Heggie, R. Jones
Diamond and Related Materials 2, 1493-99, 1993.

Diffusion of Oxygen in Silicon
R. C. Newman, R. Jones
Oxygen in Silicon, Chapter VI ed F. Shimura, Academic Press in the series: Semiconductors and Semimetals, edited by R. K. Willardson and A. C. Beer, 1993.

Density Functional Calculations of the Structure and Properties of Impurities in and Dislocations in Semiconductors
R. Jones, A. Umerski, P. Sitch, M. I. Heggie, S. Öberg
Phys. Stat. Sol., (a) 138, 369, 1993.

Models of Hydrogenated Amorphous Silicon and their Electronic Structure
J. M. Holender, G. J. Morgan, R. Jones
Phys. Rev. B 47, 3991-4, 1993.

Interaction of Oxygen with Dislocation Cores in Silicon
A. Umerski, R. Jones
Phil. Mag. A 67, 905-15, 1993.

Theory of Impurities in Diamond
P. R. Briddon, R. Jones
Physica, B 185, 179-89, 1993.

Ab initio Potentials for the Calculation of the Dynamical and Elastic Properties of quartz
J. Purton, R. Jones, C. R. A. Catlow, M. Leslie
Physics and Chemistry of Minerals 19 392-400, 1993.

Calculations of energy barriers to CVD diamond growth
C. D. Latham, M. I. Heggie, R. Jones
Diamond Optics V ed A Feldman \& S. Holly, Eds., Proc. SPIE 1759, 135-144, 1992.

Ab initio Computer Models of CVD Diamond Growth
C. D. Latham, M. I. Heggie, R. Jones
Proceedings of the Diamond Conference Cambridge, p.22, 1992.

Theory of the Structure and Properties of C60 and C60H.
R. Jones, M. I. Heggie, C. D. Latham, V. J. B. Torres, S. Öberg, S. K. Estreicher
Proceedings of the Diamond Conference Cambridge, p.20, 1992.

Theory of Interstitial N and the Di-Nitrogen Complex in Diamond
P. R. Briddon, R. Jones, S. Öberg
Proceedings of the Diamond Conference Cambridge, p.8, 1992.

Ab Initio Cluster Calculations of Defects in Solids
R. Jones
Philosophical Transactions of the Royal Society, London, A 341, 351-60, 1992.

Multiple Charge States of Substitutional Oxygen in Gallium Arsenide
R. Jones, S Öberg
Phys. Rev. Lett. 69, 136-39, 1992.

First Principles Theory of Nitrogen Aggregates in Diamond
R. Jones, P. R. Briddon, S Öberg
Phil. Mag. Lett. 66, 67-74, 1992.

Computer Modelling of Semiconductor Surfaces
G.P. Srivastava, R. Jones
Advanced Materials 4, 482-89, 1992.

Instabilities in Simple Models of C-Asi Defects in GaAs
R. Jones, S Öberg
Semicond. Sci. and Tech. 7, 855-57, 1992.

Ab initio Calculation of the Structure of Molecular Water in Quartz
R. Jones, S Öberg, M. I. Heggie, P. Tole
Phil. Mag. Lett. 66, 61-6, 1992.

Molecular Diffusion of Oxygen and Water in Crystalline and Amorphous Silica
M. I. Heggie, R. Jones, C. D. Latham, S. C. P. Maynard, P. Tole
Phil. Mag. B 65, 363-71, 1992.

Ab initio Calculation of Local Vibratory Modes of Interstitial Oxygen in Silicon
R. Jones, A Umerski, S Öberg
Phys. Rev. B 45, 11321-3, 1992-I.

Theory of B-As_i Complexes in Gallium Arsenide
R. Jones, S. Öberg
Semicond. Sci. and Tech. 7, 429-31, 1992.

Theory of Substitutional Carbon and Boron in Silicon
R. Jones, S. Öberg
Semicond. Sci. and Tech. 7, 27-30, 1992.

Local Density Functional Pseudopotential Calculations of the quartz Structure and Hydrogarnet Defect
J. Purton, R. Jones, M. Heggie, S. Öberg, C. R. A. Catlow
Phys. Chem. Minerals 18, 389-92, 1992.

Computer Modelling of Dislocation Glide in Ice Ih
R. Jones, M. I. Heggie , S. C. P. Maynard
Proc. of Physics and Chemistry of Snow and Ice ed N Maeno and T Hondoh, Hokkaido University Press, Sapporo, Japan, p 497-501, 1992.

Oxygen Frustration and the Interstitial Carbon-Oxygen Complex in Silicon
R. Jones, S. Öberg
Phys. Rev. Letters 68, 86-89, 1992.

Theory of Nitrogen in Diamond: The Substitutional Atom, A centre and the Platelet
P. R. Briddon, R. Jones, M. I. Heggie
International Conference on New Diamond Science and Technology ed R. Messier, J. T. Glass, J. E. Butler and R. Roy, Washington, Materials Research Society, Pittsburgh, Pennsylvania, 1991, p 63.

Ab initio Calculations of the Structure and Dynamical Properties of Boron Double Acceptors in GaAs
R. Jones, S. Öberg
Semicond. Sci. and Tech. 6, 1093-5, 1991.

Theory of Nitrogen and Platelets in Diamond
P. R. Briddon, R. Jones, M. I. Heggie
Materials Science Forum 83-7, 457-462, 1991.

Interaction of Hydrogen with Impurities in Semiconductors
R. Jones, S. Öberg, A. Umerski
Materials Science Forum 83-7, 551-62, 1991.

Structure and Dynamics of Substitutional Phosphorus in Diamond
R. Jones, S. Öberg
Phil Mag. Letters 64, 317-9, 1991.

Structure and Dynamics of the DX centre in GaAs:Si
R. Jones, S. Öberg
Phys. Rev. B 44, Rapid Communications, 3407-8, 1991.

Theory of the Structure and Dynamics of the C impurity and C-H Complex in GaAs
R. Jones, S. Öberg
Phys. Rev. B 44, 3673-7, 1991-II.

A Simple Model for the Growth of Platelets in Diamond
R. Jones, S. Öberg
Proc. of the Diamond Conference Oxford, 1991 p 19.

Localised Vibrational Modes of Hydrogen-impurity complexes in GaAs
P. R. Briddon, R. Jones
Physica B 170, 413-6, 1991.

Metastable States in Si:H
R. Jones
Physica B 170, 181-187, 1991.

Interaction of Impurities with Dislocation Cores in Silicon
M. Heggie, A. Umerski, R. Jones
Phil. Mag. A 63, 571-84, 1991.

Computers Calculate Silicon Surface Structure
G. P. Srivastava, R. Jones
Physics World March 1991, 28, 1991.

Comments on the Stability of Charge States and Locations for Hydrogen and Muonium in Semiconductors
S. F. J. Cox, P. R. Briddon, R. Jones
Hyperfine Interactions 64, 603-12, 1990.

Hydrogen and Muonium in Silicon
P. R. Briddon, R. Jones
Hyperfine Interactions 64, 593-602, 1990.

Ab Initio Calculations on Metastable Defects in a:Si-H : the Staebler-Wronski effect
R. Jones, G. M. S. Lister
Phil. Mag. 61, 881, 1990

The N-C Platelet Model
P. Briddon, M. Heggie, R. Jones
Proc. of the Diamond Conference p. 19, Reading, 1990.

The Single Substitutional N defect and the A-centre in Diamond
P. Briddon, R. Jones
Proc. of the Diamond Conference p. 18, Reading, 1990.

Hydrogen-Impurity Complexes in GaAs
P. Briddon, R. Jones
Materials Science Forum 65-66, 169-174, 1990, Trans Tech Publications, Zürich, Switzerland.

Ab initio Calculations on Interstitial O Clusters in Silicon
R. Jones, S. Öberg, A. Umerski
Materials Science Forum 65-66, 287-292, 1990, Trans Tech Publications, Zürich, Switzerland.

Interaction of Phosphorus with Dislocation Cores in Silicon
M. Heggie, R. Jones, A. Umerski
Materials Science Forum 65-66, 265-270, 1990, Trans Tech Publications, Zürich, Switzerland.

Atomic Cluster Calculations and Solid State Physics
R. Jones
psi_k Newsletter No. 14, 3-5, 1990.

Ab Initio Calculations on the Passivation of Shallow Impurities in GaAs
P. Briddon, R. Jones
Phys. Rev. Lett. 64, 2535-8, 1990.

Ab initio Calculations on Thermal Donors in Si : an over-coordinated O atom model for the NL10 and NL8 centres
R. Jones
Semicond. Sci. Technol. 5, 255-90, 1990.

Ab initio Calculations on Topological Defects in Amorphous Phosphorus
P. Briddon, R. Jones
J. Phys. C 1, 10361-77, 1989.

Ab initio Calculations on the Structure and Vibrational Properties of some Phosphorus-Selenium molecules: Applications to Zero-dimensional Glasses
R. Jones, G.M.S. Lister
J. Phys. C 1, 6039-048, 1989.

Ab initio Calculations of the Structure and Properties of Large Atomic Clusters
R. Jones
Molecular Simulation 14, 113-120, 1989.

Computer Modelling of Plasticity in Minerals - The hydrolytic weakening of Quartz
M. Heggie, R. Jones
Revue de Physique Applique 23, 670, 1988.

Interaction of impurities with dislocation cores in Silicon
M. I. Heggie, R. Jones, G. M. S. Lister, A. Umerski
Inst. of Phys. Conf. Series No. 104, Chap 1, p43-46, 1988.

Ab-initio Calculations of the passivation of shallow impurities in GaAs
P. Briddon, R. Jones
Inst. of Phys. Conf. Series No. 95, Chap 7, p459-464, 1988.

Hydrogen in Diamond
P. Briddon, R. Jones, G. M. S. Lister
J. Phys. C 21, L1027-31, 1988.

The Phonon Spectrum of Diamond derived from ab-initio local density functional calculations on atomic clusters
R. Jones
J. Phys. 21, 5735-45, 1988.

Plastic Deformation and Hydrolytic Weakening in quartz : The Griggs-Blacic-Frank Mechanism
M. Heggie, R. Jones
Izvestiya Akademii Nauk. Fizicheskaya Seriya. 51, No. 9 (1987) 1634.

Plastic Deformation and Hydrolytic Weakening in quartz : Electronic Mechanism
N. Nylén, M. Heggie, R. Jones
Izvestiya Akademii Nauk. Fizicheskaya Seriya. 51, No. 9 (1987) 1639.

Atomic Structure of Dislocations and Kinks in Silicon
M. Heggie, R. Jones
Inst. Phys. Conf. Series, 87, 367-74, 1987.

Local Density Functional Calculations of the structure and vibratory modes of the substitutional carbon impurity in silicon
R. Jones
J. Phys. C. 20, L713-6, 1987.

Ab initio Calculations of the phonon frequencies in silicon using small atomic clusters
R. Jones
J. Phys. C 20, L271-3, 1987.

Density Functional Analysis of the hydrolysis of Si-O bonds in Disiloxane, application to hydrolytic weakening in quartz
M. Heggie, R. Jones
Phil. Mag. Lett. 55, 47-51, 1987.

Approximations in local density functional calculations for molecules and clusters
R. Jones, A. Sayyash
J. Phys. C 19, L653-7, 1986.

Models of Hydrolytic Weakening in Quartz
M. Heggie, R. Jones
Phil. Mag. Lett., A 53, 65-70, 1986.

Calculations and Implications of the Electronic Spectra of Straight and Kinked Dislocations in Silicon and Diamond
R. Jones
Dislocations in Solids ed H Suzuki, T Ninomiya, K Sumino, S Takeuchi, University of Tokyo Press, 343-48, 1985.

Dislocations and Defects in alpha quartz
R. Jones, M. Heggie, M. Nylén
Dislocations in Solids ed H Suzuki, T Ninomiya, K Sumino, S Takeuchi, University of Tokyo Press, 529-33, 1985.

Electronic Structure of alpha quartz, the [10-10]surface and perfect stoichiometric dislocations
R. Jones, M. Heggie, M. Nylén
Phil. Mag., B 51, 573-80, 1985.

Electronic Charge Densities and the recursion Method
R. Jones, M. Lewis
Phil. Mag., B 49, 95-100, 1984.

Energy Levels and Properties of defects on Reconstructed dislocations in Silicon
R. Jones, M. Heggie
J. de Physique, C 4-43, 1983.

Band Structure of Vacancies and Dislocations in Diamond
R. Jones, T. King
J. de Physique, C 4, 461, 1983.

Theories of Dislocation Mobility in Semiconductors
R. Jones
J. de Physique, C 4-61, 1983.

Solitons and the Electrical and Mobility Properties of Dislocations in Silicon
R. Jones, M. Heggie
Phil. Mag. B 48, 365-77, 1983.

Calculation of the localised electronic states associated with static and moving dislocations in silicon
R. Jones, M. Heggie
Phil. Mag. B 48, 379-90, 1983.

A Theoretical Interpretation of Dislocation Glide in Silicon
R. Jones
Inst. Phys. Conf. Series 67, 45-53, 1983.

The Recursion Method: Application to Ideal and reconstructed Vacancies in Diamond and Silicon
R. Jones
Phil. Mag. 48, 391-6, 1983.

The Recursion Method and the Electronic Charge Density in Diamond and Silicon
R. Jones, T. King
Phil. Mag. B 47, 491-3, 1983.

Calculation of Local Densities of States at defects in Diamond and Silicon
R. Jones, T. King
Physica 116B, 72-5, 1983.

The Recursion Method and a First Principles Tight Binding Calculation of the Band Structure of Diamond and Silicon
R. Jones, T. King
Phil. Mag. B 481-90, 1983.

Calculation of Local Densities of States at defects in Group IV Elements
R. Jones, T. King
psi_k Newsletter 3, 4-7, 1982.

Glide of Partial Dislocations in Silicon
R. Jones, M. Heggie
J. de Physique, C 1, 45-60, 1982.

The spreading of narrow beams of Phonons injected into helium at low temperatures
R. Jones, P. D. Taylor
J. Phys. C 15, 6709-717, 1982.

First Principles Calculation of the Energy Band Structure of Diamond
R. Jones, A. Persson
Phys. Stat. Sol. B 112, 641, 1982.

Reconstructed Dislocations in Covalently Bonded Semiconductors
R. Jones
Inst. Phys. Conf. Series 60 45-50, 1981.

Electronic States of the Ideal and Reconstructed Vacancy in Silicon
R. Jones, M. Heggie
J. Phys. C 14, 4603-9, 1981.

Electronic States of the glide set of dislocations in Gallium Arsenide
R. Jones, S. Öberg, S. Marklund
Phil. Mag. B 43, 839-52, 1981.

The Structure and Electronic States of 60 degree partials in silicon
R. Jones, S. Marklund
Phys. Stat. Sol. 101, 585-9, 1980.

The Structure of Kinks on the 90 degree partial and a strained bond model for dislocation motion
R. Jones
Phil. Mag. B 42, 213-9, 1980.

Theoretical Calculations of electron states associated with dislocations
R. Jones
J. de Physique C 6, 33, 1979.

Dislocation States in Gallium Arsenide
R. Jones
Phil. Mag. B 39, 21-5, 1979.

The dependence of the Energy Gap in Covalent Semiconductors on Short Range Order: I Diamond
R. Jones, C. Dean
J. Phys. C 11, 3415-23, 1978.

Electronic states associated with the 60 degree edge dislocation in germanium
R. Jones
Phil. Mag. 36, 677-83, 1977.

Electronic States associated with the 60 degree edge dislocation in silicon
R. Jones
Phil. Mag. 35, 57-64, 1977.

Channel States in Disordered Semiconductors
R. Jones, W. L. McGubbin
J. Phys. C 8, L321-4, 1975.

Band Gaps in Ordered and Disordered Materials
R. Jones
5th International Conference on Amorphous and Liquid Semiconductors Taylor and Francis, London 1974, p 969-74.

A New Approach to Band Gaps in Ordered and Disordered Materials
R. Jones
J. Phys. C 6, 2318-27, 1973.

Theory of Impurity Band Hopping Conduction
R. Jones, W. L. Schaich
J. Phys. C 5, 43-53, 1972.

The Density Of States of Liquid Transition Metals
R. Jones, J Keller
J. Phys. F 1, L33-36, 1971.

Localised States in Disordered Systems
R. Jones, D. C. Herbert
J. Phys. C 4, 1145-61 1971.

The Hall Effect for Completely Disordered Systems
R. Jones
J. Phys. C 3, 202-210, 1970.

The Theory of Static Residual Conductivities in Heavily Doped Semiconductors
R. Jones
J. Phys. C 3, 190-201, 1970.

One Particle Green's functions for a Completely Disordered System
R. Jones
J. Phys. C 2, 1197-95, 1969.

Density of States of a One Dimensional Liquid
R. Jones
J. Phys. C 2, 1683-91, 1969.

A Path Integral Approach to Disordered Systems
R. Jones, T. Lukes
Proc. Roy. Soc. A 309, 457-72, 1969.

Inequalities and Variational Methods in Classical Statistical Mechanics
R. Jones, T. Lukes
J. Phys. A 1, 29-33, 1968.