Theoretical Physics
Dr. R. Jones publications by Journal

Up to Dr. R. Jones publications by Journal

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.

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.

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

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.

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.

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.

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.

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.

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

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.

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.

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.

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.

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 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.

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.

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.

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.

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

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

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

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.

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.

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.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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.

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

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

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

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

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

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.

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.

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

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

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

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

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.

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.

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.

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

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

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

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

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

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

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

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.

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 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.

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

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

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

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.

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.

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.

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.

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

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

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

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

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.

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

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.

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

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

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

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

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

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.

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.

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

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

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.

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.

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.

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

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

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

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

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.

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

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.

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

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

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

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

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.

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.

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 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.

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

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

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

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

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

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

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

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

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.

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.

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.