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DFT study of the chemistry of sulfur in graphite, including interactions with defects, edges and folds

Carbon (New York), 2013-10, Vol.62, p.256-262

2013

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Hyperfine interaction of H-divacancy in diamond

Results in physics, 2020-03, Vol.16, p.102860, Article 102860

2020

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Assignment of 13C hyperfine interactions in the P1-center in diamond

Diamond and related materials, 2016-11, Vol.70, p.118-123

2016

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The self-interstitial in silicon and germanium

Materials science & engineering. B, Solid-state materials for advanced technology, 2009-03, Vol.159, p.112-116

2009

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Electric-field control of magnetic order above room temperature

Nature materials, 2014-04, Vol.13 (4), p.345-351

2014

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Stacking faults in silicon carbide

Physica. B, Condensed matter, 2003-12, Vol.340-342, p.165-170

2003

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A study of polybromide chain formation using carbon nanomaterials via density functional theory approach

Cogent engineering, 2016-12, Vol.3 (1), p.1261509

2016

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Ab-initio vibrational properties of SiGe alloys

Thin solid films, 2008-11, Vol.517 (1), p.395-397

2008

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Density functional theory study of Al, Ga and in impurities in diamond

Diamond and related materials, 2024-02, Vol.142, p.110811, Article 110811

2024

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Density functional theory study of iron defects in diamond

Diamond and related materials, 2024-10, Vol.148, p.111332, Article 111332

2024

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Rapid iterative method for electronic-structure eigenproblems using localised basis functions

Computer physics communications, 2008, Vol.178 (2), p.128-134

2008

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Structure and electron affinity of (112¯0)–X 4H–SiC surface

Applied surface science, 2020-07, Vol.518, p.145986, Article 145986

2020

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Formation energy and migration barrier of a Ge vacancy from ab initio studies

Materials science in semiconductor processing, 2006-08, Vol.9 (4), p.498-502

2006

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Autocatalysis During Fullerene Growth

Science (American Association for the Advancement of Science), 1996-04, Vol.272 (5258), p.87-89

1996

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LDA Calculations Using a Basis of Gaussian Orbitals

physica status solidi (b), 2000-01, Vol.217 (1), p.131-171

2000

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Electron-affinity and surface-stability of aluminium-oxide terminated diamond surfaces

Diamond and related materials, 2019-04, Vol.94, p.137-145

2019

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Hydrogen adsorption on graphene: a first principles study

The European physical journal. B, Condensed matter physics, 2010-08, Vol.76 (3), p.481-486

2010

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

Physica. B, Condensed matter, 1999-12, Vol.273-274, p.505-508

1999

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

Physica. B, Condensed matter, 2006-04, Vol.376-377 (1), p.109-112

2006

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Cation-site intrinsic defects in Zn-doped CdTe

Physical review. B, Condensed matter and materials physics, 2010-02, Vol.81 (7), p.75215, Article 075215

2010

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

Physica. B, Condensed matter, 2006-04, Vol.376-377, p.268-271

2006

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Energies and electronic properties of isolated and interacting twin boundaries in 3C-SiC, Si, and diamond

Physical review. B, Condensed matter, 2003, Vol.68 (11), p.113202

2003

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Identification of stable and metastable forms of centers in germanium

Physica. B, Condensed matter, 2007-12, Vol.401-402, p.192-195

2007

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Density functional calculations of carbon substituting for Zr in barium zirconate

Journal of crystal growth, 2017-06, Vol.468, p.728-731

2017

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Electronic and dynamical properties of the silicon trivacancy

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (17), Article 174101

2012

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DFT study of the chemistry of sulfur in graphite, including interactions with defects, edges and folds

Hyperfine interaction of H-divacancy in diamond

Assignment of 13C hyperfine interactions in the P1-center in diamond

The self-interstitial in silicon and germanium

Electric-field control of magnetic order above room temperature

Stacking faults in silicon carbide

A study of polybromide chain formation using carbon nanomaterials via density functional theory approach

Ab-initio vibrational properties of SiGe alloys

Density functional theory study of Al, Ga and in impurities in diamond

Density functional theory study of iron defects in diamond

Rapid iterative method for electronic-structure eigenproblems using localised basis functions

Structure and electron affinity of (112¯0)–X 4H–SiC surface

Formation energy and migration barrier of a Ge vacancy from ab initio studies

Autocatalysis During Fullerene Growth

LDA Calculations Using a Basis of Gaussian Orbitals

Electron-affinity and surface-stability of aluminium-oxide terminated diamond surfaces

Hydrogen adsorption on graphene: a first principles study

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

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

Cation-site intrinsic defects in Zn-doped CdTe

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

Energies and electronic properties of isolated and interacting twin boundaries in 3C-SiC, Si, and diamond

Identification of stable and metastable forms of centers in germanium

Density functional calculations of carbon substituting for Zr in barium zirconate

Electronic and dynamical properties of the silicon trivacancy

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