List of works - Robert Jones

A density functional tight-binding approach for modelling Ge and GeH structures

scientific article published on 9 September 1996

A theoretical investigation of dislocations in cubic and hexagonal gallium nitride

scientific article published in September 2003

A theoretical study of O chemisorption on GaN (0001)/(0001̄) surfaces

Ab Initio Modelling of Defects in Non-Metallic Systems

Ab initio calculation of the local vibrational modes of the interstitial boron–interstitial oxygen defect in Si

article

Ab initio calculation of the local vibratory modes of interstitial oxygen in silicon

scientific article published on 01 May 1992

Ab initio calculations on the passivation of shallow impurities in GaAs

scientific article published on 01 May 1990

Ab initio energetics of CVD growth reactions on the three low-index surfaces of diamond

Ab initio investigation of boron diffusion paths in germanium

scholarly article by C. Janke et al published 1 December 2006 in Journal of Materials Science: Materials in Electronics

Ab initio investigation of phosphorus and boron diffusion in germanium

article

Ab initio investigation of the dislocation structure and activation energy for dislocation motion in silicon carbide

scientific article published on 01 August 1995

Ab initio modeling of defect levels in Ge clusters and supercells

Ab initio potentials for the calculation of the dynamical and elastic properties of ?-quartz

Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond.

scientific article published in November 2012

Ab initio study of CsI and its surface

scholarly article in Physical Review B, vol. 74 no. 3, July 2006

Ab initio total energy calculations of impurity pinning in silicon

article by M. I. Heggie et al published 16 August 1993 in Physica Status Solidi A

Ab initiocalculations of anharmonicity of the C-H stretch mode in HCN and GaAs

scientific article published on 01 September 1994

Ab-Initio Modeling of Defects in Germanium

article

Anharmonicity and lattice coupling of bond-centered hydrogen and interstitial oxygen defects in monoisotopic silicon crystals

scholarly article in Physical Review B, vol. 72 no. 11, September 2005

Band-gap-related energies of threading dislocations and quantum wells in group-III nitride films as derived from electron energy loss spectroscopy

scientific article published on 26 June 2002

Basal plane partial dislocations in silicon carbide

scholarly article by A.T. Blumenau et al published December 2003 in Physica B

Bistability of SiGa−SiGa pairs in MBE(001) δ-doped GaAs

Bonding of H-CAs pairs in AlxGa1-xAs alloys

scientific article published on 01 October 1994

Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN

scientific article published on 22 November 2002

Calculation of deep carrier traps in a divacancy in germanium crystals

scholarly article by J. Coutinho et al published 27 February 2006 in Applied Physics Letters

Calculation of local density of states at defects in diamond and silicon

Combined TEM and STEM study of the brown colouration of natural diamonds

scientific article published on 22 February 2006

Comment on "Role played by N and N-N impurities in type-IV semiconductors"

scientific article published on 01 May 1995

Comment on "a/[110] stacking fault model for platelets in diamond"

scientific article published on 21 September 2005

Comments on the stability of charge states and locations for hydrogen and muonium in semiconductors

Complexes of self-interstitials with oxygen atoms in germanium

scholarly article by L.I. Khirunenko et al published October 2008 in Materials Science in Semiconductor Processing

Cooperative polarisation in ice Ih and the unusual strength of the hydrogen bond

Core reconstructions of the 〈100〉 edge dislocation in single crystal CVD diamond

Cyclic cluster model for calculating defects in solids using the local density approximation

Degradation of boron-doped Czochralski-grown silicon solar cells

scientific article published on 30 July 2004

Density functional calculations of the structure and properties of impurities and dislocations in semiconductors

Density-functional study of small interstitial clusters in Si: Comparison with experiments

scholarly article in Physical Review B, vol. 72 no. 15, October 2005

Density-functional theory study of Au, Ag and Cu defects in germanium

scholarly article by A. Carvalho et al published October 2008 in Materials Science in Semiconductor Processing

Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys

Development of radiation tolerant semiconductor detectors for the Super-LHC

Di-Carbon Complexes in AlAs and GaAs

Diffusion of nitrogen in silicon

scientific article published on 11 July 2005

Dislocation-induced electronic states and point-defect atmospheres evidenced by electron energy loss imaging

scientific article published in December 2004

Dislocations in diamond: Core structures and energies

scientific article published on 15 May 2002

Dislocations in diamond: Electron energy-loss spectroscopy

scientific article published on 15 May 2002

Dislocations in hexagonal and cubic GaN

scientific article published on 21 November 2000

Dislocations, vacancies and the brown colour of CVD and natural diamond

Do we really understand dislocations in semiconductors?

Donor and acceptor states in diamond

article

Donor-vacancy complexes in Ge: Cluster and supercell calculations

scholarly article in Physical Review B, vol. 73 no. 23, June 2006

E center in silicon has a donor level in the band gap

scientific article published on 07 September 2006

Early SiO2 precipitates in Si: Vacancy-oxygen versus interstitial-oxygen clusters

Early stage donor-vacancy clusters in germanium

scholarly article by José Coutinho et al published 7 December 2006 in Journal of Materials Science: Materials in Electronics

Effect of oxygen on the growth of (101̄0) GaN surfaces: The formation of nanopipes

scientific article published on 14 December 1998

Electrical activity of Er and Er-O centers in silicon

scholarly article in Physical Review B, vol. 71 no. 24, June 2005

Electrical and optical properties of multivacancy centres in diamond

Electron energy loss spectroscopic studies of brown diamonds

scientific article published on 11 October 2006

Electron energy loss studies of dislocations in GaN thin films

scientific article published in March 2003

Electronic and vibrational properties of Mg- and O-related complexes in GaN

article

Electronic behavior of rare-earth dopants in AlN: A density-functional study

scientific article published on 11 August 2005

Electronic properties of vacancy–oxygen complexes in SiGe alloys

Electronic structure and Jahn–Teller instabilities in a single vacancy in Ge

Electronic structure of Zn, Cu and Ni impurities in germanium.

scientific article published on 24 January 2011

Electronic structure of divacancy–hydrogen complexes in silicon

Energy levels of atomic hydrogen in germanium from ab-initio calculations

scholarly article by L.M. Almeida et al published August 2006 in Materials Science in Semiconductor Processing

Energy loss spectroscopy of dislocations in GaN and diamond: a comparison of experiment and calculations

Enhanced dopant solubility in strained silicon

Evidence for trapped by carbon impurities in silicon

Extended defects in diamond: The interstitial platelet

scientific article (publication date: 24 April 2003)

First Principles Calculation of the Energy Band Structure of Diamond

First Principles Studies of H in Diamond

First Principles Study of the Self-Interstitial Defect in Diamond

First Stage of Oxygen Aggregation in Silicon: The Oxygen Dimer

scientific article published in Physical Review Letters

First-Principles Calculations of Dislocations in Semiconductors

article by R. Jones et al published 16 June 1993 in Physica Status Solidi A

First-principles calculations of the energy barrier to dislocation motion in Si and GaAs

scientific article published on 01 May 1995

First-principles investigation of a bistable boron-oxygen interstitial pair in Si

scholarly article in Physical Review B, vol. 73 no. 24, June 2006

First-principles study of Fe and FeAl defects in SiGe alloys

scholarly article in Physical Review B, vol. 78 no. 12, September 2008

First-principles study on the local vibrational modes of nitrogen–oxygen defects in silicon

article

Germanium–hydrogen pairs in silicon

scientific article published on 19 September 2003

Graphitization at diamond dislocation cores

H2* defect in crystalline silicon

scientific article published on 01 August 1993

Hydrogen Interaction with Dislocations in Si

scientific article published in Physical Review Letters

Hydrogen and muonium in silicon

Hydrogen molecules and platelets in germanium

scholarly article by B. Hourahine et al published April 2006 in Physica B

Hydrogen passivated defects in InP

Hydrogenation and oxygenation of the (100) diamond surface and the consequences for transfer doping

article

Identification of stable and metastable forms of centers in germanium

article

Identification of the dominant nitrogen defect in silicon

scientific article published on 01 March 1994

Identification of the local vibrational modes of small nitrogen clusters in dilute GaAsN

article

Identification of the structure of the 3107 cm(-1) H-related defect in diamond

scientific article published on 20 March 2014

Influence of dislocations on electron energy-loss spectra in gallium nitride

scientific article published on 29 May 2002

Instability of tetrahedral bonding for the C100 molecule

scientific article published on 01 September 1994

Interaction between oxygen and single self-interstitials in silicon

Interaction of Oxygen with Threading Dislocations in GaN

Interstitial aggregates and a new model for the I1/W optical centre in silicon

article

Interstitial aggregates in diamond

Interstitial boron defects in Si

Interstitial carbon-related defects in Si1−xGex alloys

Interstitial hydrogen and enhanced dissociation of C-H complexes in GaAs

scientific article published on 01 June 1996

Interstitial-Carbon Hydrogen Interaction in Silicon

scientific article published on 01 December 1996

Intrinsic Defects and the D1 to D4 Optical Bands Detected in Plastically Deformed Si

Isotopic effects on vibrational modes of thermal double donors in Si and Ge

LDA Calculations Using a Basis of Gaussian Orbitals

article published in 2000

LDF pseudopotential calculations of the ?-quartz structure and hydrogarnet defect

Large spherical vacancy clusters in diamond – Origin of the brown colouration?

Lattice isotope effects on optical transitions in silicon

scholarly article in Physical Review B, vol. 70 no. 3, July 2004

Light impurities (O, H, C, N) in silicon

article

Light induced degradation in B doped Cz-Si solar cells

article

Local modes of the H2* dimer in germanium

scientific article published on 01 August 1996

Local vibrational mode bands of V–O–H complexes in silicon

Local vibrational modes of N2−O n defects in Cz-Silicon

article

Local vibrations of interstitial carbon in SiGe alloys

Local vibrations on hydrogen dimers in dilute SiGe crystalline solutions

article

Local-density-functional calculations of the vacancy-oxygen center in Ge

scholarly article in Physical Review B, vol. 75 no. 11, March 2007

Localised vibrational modes of hydrogen-impurity complexes in GaAs

article

Mechanism for dicarbon defect formation in AlAs and GaAs

Metastable states in Si:H

Mg–H and Be–H complexes in c-BN

Model of hydrogenated amorphous silicon and its electronic structure

scientific article published on 01 February 1993

Modelling Carbon for Industry: Radiolytic Oxidation

Modelling electron energy-loss spectra of dislocations in silicon and diamond

Modelling the effect of doping metallic carbon nanotubes on their ability to transfer-dope diamond

Molecular hydrogen traps within silicon

Molecular rectification with M|(D-σ-A LB film)|M junctions

article

Movement and pinning of dislocations in SiC

Multiple charge states of substitutional oxygen in gallium arsenide

scientific article published on 01 July 1992

Nitrogen in germanium: Identification of the pair defect

scientific article published on 01 August 1994

Nitrogen-Hydrogen Defects in GaP

On the doping of graphene

Optical bands related to dislocations in Si

scientific article published on 21 November 2000

Optical properties of vacancy related defects in diamond

article

Optically active hydrogen dimers in silicon

Origin of brown coloration in diamond

scientific article

Over-coordinated oxygen in the interstitial carbon–oxygen complex

Oxygen and dioxygen centers in Si and Ge: Density-functional calculations

scholarly article in Physical Review B, vol. 62 no. 16, October 2000

Oxygen defects in irradiated germanium

article

Oxygen frustration and the interstitial carbon-oxygen complex in Si

scientific article published on 01 January 1992

Photoelastic constants in diamond and silicon

Piezospectroscopic analysis of the hydrogen–carbon complexes in silicon

Planar interstitial aggregates in Si

scientific article published on 22 November 2002

Plasmon spectroscopy of free-standing graphene films

scientific article published on 18 June 2008

Platinum and gold dihydrides in silicon

Quantitative density-functional study of nested fullerenes

scholarly article in Physical Review B, vol. 57 no. 21, June 1998

Radiation-hard semiconductor detectors for SuperLHC

Recent advancements in the development of radiation hard semiconductor detectors for S-LHC

Ro-vibrational modes of H2 in 4H–SiC and 2H–GaN

article

Role of extended defects in brown colouration of diamond

STEM plasmon spectroscopy of free standing graphene

article

Self-Interstitial in Germanium

scientific article published in Physical Review Letters

Self-interstitial clusters in silicon

article

Self-interstitials and Frenkel pairs in electron-irradiated germanium

scholarly article by A. Carvalho et al published December 2007 in Physica B

Shallow Thermal Donor Defects in Silicon

scientific article published in Physical Review Letters

Shallow donor activity of S–H, Se–H, and Te–H complexes in silicon

article by J. Coutinho et al published January 2003 in Physica Status Solidi B

Shallow donors in diamond: chalcogens, pnictogens, and their hydrogen complexes

scientific article published on 07 January 2004

Shallow donors in diamond: pnictogen and chalcogen hydrogen defects

article by S.J Sque et al published December 2003 in Physica B

Stable and metastable states of C60H: buckminsterfullerene monohydride

article

Straight and kinked 90°partial dislocations in diamond and 3C-SiC

scientific article published on 22 November 2002

Strong compensation of n-type Ge via formation of donor–vacancy complexes

Structural and electronic properties of thin fluorite-structure NiSi2, CoSi2and FeSi2interfaces and precipitates in Si

Structure and dynamics of the DX center in GaAs:Si

scientific article published on 01 August 1991

Structure and electrical activity of rare-earth dopants in semiconductors

Structure of tin–vacancy defects in silicon

Structures of dislocations in GaAs and their modification by impurities

scientific article published on 01 December 1994

Structures, Energetics and Electronic Properties of Complex III—V Semiconductor Systems

Studies of the VO centre in Ge using first principles cluster calculations

Supercell and cluster density functional calculations of the thermal stability of the divacancy in germanium

scholarly article by C. Janke et al published August 2006 in Materials Science in Semiconductor Processing

The 60° dislocation in diamond and its dissociation

scientific article published on 19 September 2003

The Twelve-Line 1.682 eV Luminescence Center in Diamond and the Vacancy-Silicon Complex

scientific article

The divacancy in silicon and diamond

article

The effect of charge on kink migration at 90° partial dislocations in SiC

The electronic properties of transition metal hydrogen complexes in silicon

The energetics of hydrogenic reactions at diamond surfaces calculated by a local spin-density functional theoretical method

The formation, dissociation and electrical activity of divacancy-oxygen complexes in Si

The hydrogen complexes in gallium arsenide and indium phosphide doped with magnesium

scholarly article by R Rahbi et al published February 1995 in Solid State Communications

The nitrogen-pair oxygen defect in silicon

The self-interstitial in silicon and germanium

scholarly article by R. Jones et al published March 2009 in Materials Science and Engineering B: Advanced Functional Solid-state Materials

The structural properties of transition metal hydrogen complexes in silicon

The structures and properties of tetrafluoromethane, hexafluoroethane, and octafluoropropane using the AIMPRO density functional program

The transfer doping of graphite and graphene

article

Theoretical and isotopic infrared absorption investigations of nitrogen-oxygen defects in silicon

Theoretical investigation on the interaction of nitrogen with dislocations in single crystal CVD diamond

Theoretical studies on nitrogen - oxygen complexes in silicon

Theoretical studies on 〈100〉 dislocations in single crystal CVD diamond

article

Theoretical study on the adsorption of armchair carbon nanotubes on the hydrogenated surface of diamond

Theory of anharmonicity on bond-centered hydrogen oscillators in silicon

Theory of carbon complexes in aluminum arsenide

scientific article published on 01 February 1994

Theory of dislocations in diamond and silicon and their interaction with hydrogen

Theory of impurities in diamond

Theory of nickel and nickel-hydrogen complexes in silicon

scientific article published on 01 October 1995

Theory of the birefringence due to dislocations in single crystal CVD diamond

scientific article published on 19 August 2009

Theory of the structure and dynamics of the C impurity and C-H complex in GaAs

scientific article published on 01 August 1991

Thermal Double Donors and Quantum Dots

scientific article published in Physical Review Letters

Thermal double donors in Si and Ge

article

Transfer doping of diamond: Buckminsterfullerene on hydrogenated, hydroxylated, and oxygenated diamond surfaces

Transfer doping of diamond: The use of and to effect p-type surface conductivity

Vacancy- and acceptor-H complexes in InP

Vacancy-dioxygen centers in Si-rich SiGe alloys

Vacancy-hydrogen complexes in germanium

scholarly article by B.J. Coomer et al published February 1999 in Materials Science and Engineering B: Advanced Functional Solid-state Materials

Vibrational properties of elemental hydrogen centres in Si, Ge and dilute SiGe alloys

article

Volume expansion and stress tensors for self-interstitial aggregates in diamond

Z1/Z2 defects in 4H-SiC

scientific article published on 05 June 2003

p-type doping of graphene with F4-TCNQ.

scientific article published on 14 September 2009

List of works by Robert Jones

A density functional tight-binding approach for modelling Ge and GeH structures

A theoretical investigation of dislocations in cubic and hexagonal gallium nitride

A theoretical study of O chemisorption on GaN (0001)/(0001̄) surfaces

Ab Initio Modelling of Defects in Non-Metallic Systems

Ab initio calculation of the local vibrational modes of the interstitial boron–interstitial oxygen defect in Si

Ab initio calculation of the local vibratory modes of interstitial oxygen in silicon

Ab initio calculations on the passivation of shallow impurities in GaAs

Ab initio energetics of CVD growth reactions on the three low-index surfaces of diamond

Ab initio investigation of boron diffusion paths in germanium

Ab initio investigation of phosphorus and boron diffusion in germanium

Ab initio investigation of the dislocation structure and activation energy for dislocation motion in silicon carbide

Ab initio modeling of defect levels in Ge clusters and supercells

Ab initio potentials for the calculation of the dynamical and elastic properties of ?-quartz

Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond.

Ab initio study of CsI and its surface

Ab initio total energy calculations of impurity pinning in silicon

Ab initiocalculations of anharmonicity of the C-H stretch mode in HCN and GaAs

Ab-Initio Modeling of Defects in Germanium

Anharmonicity and lattice coupling of bond-centered hydrogen and interstitial oxygen defects in monoisotopic silicon crystals

Band-gap-related energies of threading dislocations and quantum wells in group-III nitride films as derived from electron energy loss spectroscopy

Basal plane partial dislocations in silicon carbide

Bistability of SiGa−SiGa pairs in MBE(001) δ-doped GaAs

Bonding of H-CAs pairs in AlxGa1-xAs alloys

Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN

Calculation of deep carrier traps in a divacancy in germanium crystals

Calculation of local density of states at defects in diamond and silicon

Combined TEM and STEM study of the brown colouration of natural diamonds

Comment on "Role played by N and N-N impurities in type-IV semiconductors"

Comment on "a/[110] stacking fault model for platelets in diamond"

Comments on the stability of charge states and locations for hydrogen and muonium in semiconductors

Complexes of self-interstitials with oxygen atoms in germanium

Cooperative polarisation in ice Ih and the unusual strength of the hydrogen bond

Core reconstructions of the 〈100〉 edge dislocation in single crystal CVD diamond

Cyclic cluster model for calculating defects in solids using the local density approximation

Degradation of boron-doped Czochralski-grown silicon solar cells

Density functional calculations of the structure and properties of impurities and dislocations in semiconductors

Density-functional study of small interstitial clusters in Si: Comparison with experiments

Density-functional theory study of Au, Ag and Cu defects in germanium

Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys

Development of radiation tolerant semiconductor detectors for the Super-LHC

Di-Carbon Complexes in AlAs and GaAs

Diffusion of nitrogen in silicon

Dislocation-induced electronic states and point-defect atmospheres evidenced by electron energy loss imaging

Dislocations in diamond: Core structures and energies

Dislocations in diamond: Electron energy-loss spectroscopy

Dislocations in hexagonal and cubic GaN

Dislocations, vacancies and the brown colour of CVD and natural diamond

Do we really understand dislocations in semiconductors?

Donor and acceptor states in diamond

Donor-vacancy complexes in Ge: Cluster and supercell calculations

E center in silicon has a donor level in the band gap

Early SiO2 precipitates in Si: Vacancy-oxygen versus interstitial-oxygen clusters

Early stage donor-vacancy clusters in germanium

Effect of oxygen on the growth of (101̄0) GaN surfaces: The formation of nanopipes

Electrical activity of Er and Er-O centers in silicon

Electrical and optical properties of multivacancy centres in diamond

Electron energy loss spectroscopic studies of brown diamonds

Electron energy loss studies of dislocations in GaN thin films

Electronic and vibrational properties of Mg- and O-related complexes in GaN

Electronic behavior of rare-earth dopants in AlN: A density-functional study

Electronic properties of vacancy–oxygen complexes in SiGe alloys

Electronic structure and Jahn–Teller instabilities in a single vacancy in Ge

Electronic structure of Zn, Cu and Ni impurities in germanium.

Electronic structure of divacancy–hydrogen complexes in silicon

Energy levels of atomic hydrogen in germanium from ab-initio calculations

Energy loss spectroscopy of dislocations in GaN and diamond: a comparison of experiment and calculations

Enhanced dopant solubility in strained silicon

Evidence for trapped by carbon impurities in silicon

Extended defects in diamond: The interstitial platelet

First Principles Calculation of the Energy Band Structure of Diamond

First Principles Studies of H in Diamond

First Principles Study of the Self-Interstitial Defect in Diamond

First Stage of Oxygen Aggregation in Silicon: The Oxygen Dimer

First-Principles Calculations of Dislocations in Semiconductors

First-principles calculations of the energy barrier to dislocation motion in Si and GaAs

First-principles investigation of a bistable boron-oxygen interstitial pair in Si

First-principles study of Fe and FeAl defects in SiGe alloys

First-principles study on the local vibrational modes of nitrogen–oxygen defects in silicon

Germanium–hydrogen pairs in silicon