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Philosophical Magazine B Volume 82, 2002 - Issue 17
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Original Articles

Comparative Hartree-Fock and density-functional theory study of cubic and hexagonal diamond

A. S. Barnard Department of Applied Physics, Royal Melbourne Institute of Technology University, GPO Box 2476V, Melbourne, 3001, Australia
,
S. P. Russo Department of Applied Physics, Royal Melbourne Institute of Technology University, GPO Box 2476V, Melbourne, 3001, Australia
&
I. K. Snook Department of Applied Physics, Royal Melbourne Institute of Technology University, GPO Box 2476V, Melbourne, 3001, Australia
Pages 1767-1776 | Received 19 Jul 2002, Accepted 16 Aug 2002, Published online: 04 Aug 2009

Citations (28)

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Read on this site (4)

Robert J. Rees & Michelle J.S. Spencer. (2016) The science and life of Ian K. Snook. Molecular Simulation 42:6-7, pages 448-457.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Ab initio modelling of boron and nitrogen in diamond nanowires. Philosophical Magazine 83:19, pages 2301-2309.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Ab initio modelling of dopants in diamond nanowires: Ii. Philosophical Magazine 83:19, pages 2311-2321.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Ab initio modelling of band states in doped diamond. Philosophical Magazine 83:9, pages 1163-1174.
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Articles from other publishers (24)

Zhaolong Sun, Pingping Liang, Qimeng Liu, Bo Cui & Nan Gao. (2024) Hydrogen and oxygen mixed-termination for nitrogen-vacancy quantum sensors in hexagonal diamond. Vacuum 219, pages 112719.
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Tzveta Apostolova, Vasyl Kurylo & Iaroslav Gnilitskyi. (2021) Ultrafast Laser Processing of Diamond Materials: A Review. Frontiers in Physics 9.
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C. H. Patterson. (2020) Density fitting in periodic systems: Application to TDHF in diamond and oxides. The Journal of Chemical Physics 153:6.
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Shen Li Qiu. (2014) Hexagonal graphite to cubic diamond transition from equilibrium lines and barrier calculations. The European Physical Journal B 87:7.
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Yohei Sato, Masami Terauchi, Wataru Inami & Akira Yoshiasa. (2012) High energy-resolution electron energy-loss spectroscopy analysis of dielectric property and electronic structure of hexagonal diamond. Diamond and Related Materials 25, pages 40-44.
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B. Ziaja & N. Medvedev. (2012) Modelling ultrafast transitions within laser-irradiated solids. High Energy Density Physics 8:1, pages 18-29.
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S L Qiu & P M Marcus. (2011) Structure and stability under pressure of cubic and hexagonal diamond crystals of C, BN and Si from first principles. Journal of Physics: Condensed Matter 23:21, pages 215501.
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D. W. Drumm, M. C. Per, S. P. Russo & L. C. L. Hollenberg. (2010) Thermodynamic stability of neutral Xe defects in diamond. Physical Review B 82:5.
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Tetsuya Morishita, Salvy P. Russo, Ian K. Snook, Michelle J. S. Spencer, Kengo Nishio & Masuhiro Mikami. (2010) First-principles study of structural and electronic properties of ultrathin silicon nanosheets. Physical Review B 82:4.
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A. A. I. Khalil. (2009) A spectroscopic analysis study of graphite using laser technique. Laser Physics 20:1, pages 238-244.
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Parham Yaghoobi, Konrad Walus & Alireza Nojeh. (2009) First-principles study of quantum tunneling from nanostructures: Current in a single-walled carbon nanotube electron source. Physical Review B 80:11.
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Masahiko Nishida. (2009) Calculations of electronic and optical properties of diamond quantum films. Physica E: Low-dimensional Systems and Nanostructures 41:8, pages 1621-1627.
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A. Nojeh, B. Shan, K. Cho & R. F. W. Pease. (2006) Ab Initio Modeling of the Interaction of Electron Beams and Single-Walled Carbon Nanotubes . Physical Review Letters 96:5.
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Beata Ziaja, Richard A. London & Janos Hajdu. (2005) Unified model of secondary electron cascades in diamond. Journal of Applied Physics 97:6.
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A. S. Barnard & I. K. Snook. (2004) Phase stability of nanocarbon in one dimension: Nanotubes versus diamond nanowires. The Journal of Chemical Physics 120:8, pages 3817-3821.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Electronic band gaps of diamond nanowires. Physical Review B 68:23.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Ab Initio Modeling of Diamond Nanowire Structures. Nano Letters 3:10, pages 1323-1328.
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A.S. Barnard, S.P. Russo & I.K. Snook. (2003) Structural relaxation and relative stability of nanodiamond morphologies. Diamond and Related Materials 12:10-11, pages 1867-1872.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2012) First Principles Investigations of Diamond Ultrananocrystals. International Journal of Modern Physics B 17:21, pages 3865-3879.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Coexistence of bucky diamond with nanodiamond and fullerene carbon phases. Physical Review B 68:7.
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A. S. Barnard & S. P. Russo. (2003) Structure and Energetics of Single-Walled Armchair and Zigzag Silicon Nanotubes. The Journal of Physical Chemistry B 107:31, pages 7577-7581.
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A.S. Barnard, S.P. Russo & I.K. Snook. (2003) Surface structure of cubic diamond nanowires. Surface Science 538:3, pages 204-210.
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A. S. Barnard, S. P. Russo & I. K. Snook. (2003) Size dependent phase stability of carbon nanoparticles: Nanodiamond versus fullerenes. The Journal of Chemical Physics 118:11, pages 5094-5097.
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A.S. Barnard, N.A. Marks, S.P. Russo & I.K. Snook. (2011) Hydrogen Stabilization of {111} Nanodiamond. MRS Proceedings 740.
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