Theoretical Physics
Dr. R. Jones publications by authors

If you have trouble locating any of these papers please contact an author for a reprint.

We also have lists sorted by first author and any author

The N-C Platelet Model
P. Briddon, M. Heggie, R. Jones
Proc. of the Diamond Conference p. 19, Reading, 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 Topological Defects in Amorphous Phosphorus
P. Briddon, R. Jones
J. Phys. C 1, 10361-77, 1989.

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

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

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

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

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

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

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.

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

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.

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.

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.

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

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

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.

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

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.

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.

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

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.

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

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.

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

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

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

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

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

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

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.

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

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.

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.

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

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

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.

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

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.

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

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

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

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

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

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

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.

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

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

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

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

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.

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 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

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.

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

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

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

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

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.

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.

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.

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

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

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

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

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

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.

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

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

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.

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.

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

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

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

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.

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

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

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

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

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

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

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.

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

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.

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

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

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

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

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

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 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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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

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

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