74. Zurek E., Hoffmann R., Ashcroft N.W., Oganov A.R., Lyakhov A.O. (2009).
A little bit of lithium does a lot for hydrogen.
73. Oganov A.R., Solozhenko V.L. (2009).
Boron: a hunt for superhard polymorphs.
J. Superhard Materials 31, 285-291. (
pdf-file).
72. Li Q., Ma Y., Oganov A.R., Wang H., Wang H., Xu Y., Cui T., Mao H.-K., Zou G. (2009).
Superhard monoclinic polymorph of carbon.
Phys. Rev. Lett. 102, 175506. (
pdf-file).
71. Hu C.H., Oganov A.R., Zhou H.Y., Hafner J. (2009).
Insulating states of LiBeH3 under extreme compression.
70. Wang H., Li Q., Li Y., Cui T., Oganov A.R., Ma Y. (2009).
Ultra-incompressible phases of tungsten dinitride predicted from first principles.
69. Schönborn S., Goedecker S., Roy S., Oganov A.R. (2009).
The performance of minima hopping and evolutionary algorithms for cluster structure prediction.
68. Xu Y., Tse J.S., Oganov A.R., Cui T., Wang H., Ma Y., Zou G. (2009).
Superconducting high-pressure phase of cesium iodide.
67. Li Q., Wang M., Oganov A.R., Cui T., Ma Y., Zou G. (2009).
Rhombohedral superhard structure of BC2N.
66. Oganov A.R., Valle M. (2009).
How to quantify energy landscapes of solids.
65. Ma Y., Eremets M.I., Oganov A.R., Xie Y., Trojan I., Medvedev S., Lyakhov A.O., Valle M., Prakapenka V. (2009).
Transparent dense sodium.
64. Martinez-Canales M., Oganov A.R., Lyakhov A., Ma Y., Bergara A. (2009).
Novel structures of silane under pressure.
Phys. Rev. Lett. 102, 087005. (
pdf-file).
63. Ma Y., Oganov A.R., Xie Y., Li Z., Kotakoski J. (2009).
Novel high pressure structures of polymeric nitrogen.
Phys. Rev. Lett. 102, 065501. (
pdf-file).
62. Ma Y., Wang Y., Oganov A.R. (2009).
Absence of superconductivity in the novel high-pressure polymorph of MgB2.
61. Solozhenko V.L., Kurakevych O.O., Oganov A.R. (2008).
On the hardness of a new boron phase, orthorhombic gamma-B28.
J. Superhard Mater. 30, 428-429. (
pdf-file).
60. Oganov A.R., Chen J., Gatti C., Ma Y.-Z., Ma Y.-M., Glass C.W., Liu Z., Yu T., Kurakevych O.O., Solozhenko V.L. (2009).
Ionic high-pressure form of elemental boron.
59. Errea I., Martinez-Canales M., Oganov A.R., Bergara A. (2008).
Fermi surface nesting and phonon instabilities in simple cubic calcium.
High Pressure Research 28, 443-448. (
pdf-file).
58. Hu C.H., Oganov A.R., Wang Y.M., Zhou H.Y., Lyakhov A., Hafner J. (2008).
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations.
J. Chem. Phys. 129, art. 234105. (
pdf-file).
57. Valle M., Oganov A.R. (2008).
Crystal structure classifier for an evolutionary algorithm structure predictor.
IEEE Symposium on Visual Analytics Science and Technology (October 21 - 23, Columbus, Ohio, USA), pp. 11- 18 (
pdf-file).
56. Gao G., Oganov A.R., Bergara A., Martinez-Canalez M., Cui T., Iitaka T., Ma Y., Zou G. (2008).
Superconducting high pressure phase of germane.
Phys. Rev. Lett. 101, 107002 (
pdf-file).
55. Oganov A.R., Ono S., Ma Y., Glass C.W., Garcia A. (2008).
Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in the Earth's lower mantle.
Earth Planet. Sci. Lett. 273, 38-47 (
pdf-file).
54. Ma Y., Oganov A.R., Xie Y. (2008).
High pressure structures of lithium, potassium, and rubidium predicted by ab initio evolutionary algorithm.
53. Koci L., Ma Y., Oganov A.R., Souvatzis P., Ahuja R. (2008).
Anomalous elastic behavior of superconducting metals V, Nb, Ta, Mo and W at high pressure.
52. Ono S., Oganov A.R., Brodholt J.P., Vocadlo L., Wood I.G., Lyakhov A., Glass C.W., Côté A.S., Price G.D. (2008).
High-pressure phase transformations of FeS: novel phases at conditions of planetary cores.
Earth Planet. Sci. Lett. 272, 481-487 (
pdf-file).
51. Oganov A.R., Glass C.W. (2008).
Evolutionary crystal structure prediction as a tool in materials design.
J. Phys.: Cond. Mattter 20, art. 064210 (invited paper) (
pdf-file).
50. Oganov A.R. (2007).
Thermodynamics, phase transitions, equations of state and elasticity of minerals at high pressures and temperatures.
In: Treatise on Geophysics, vol. 2 (Mineral Physics, edited by G.D. Price), 121-152.
49. Oganov A.R., Ma Y., Glass C.W., Valle M. (2007).
Evolutionary crystal structure prediction: overview of the USPEX method and some of its applications.
Psi-k Newsletter, number 84, Highlight of the Month, 142-171 (
pdf-file).
48. Ma Y.-M., Oganov A.R., Glass C.W. (2007).
Structure of the metallic zeta-phase of oxygen and isosymmetric nature of the epsilon-zeta phase transition: Ab initio simulations.
47. Martonák R., Donadio D., Oganov A.R., Parrinello M. (2007).
4- to 6- coordinated silica: transformation pathways from metadynamics.
46. Martonak R., Oganov A.R., Glass C.W. (2007).
Crystal structure prediction and simulations of structural transformations: metadynamics and evolutionary algorithms.
Phase Transitions 80, 277-298 (
pdf-file).
45. Hassdenteufel K.H., Oganov A.R., Steurer W., Katrich S. (2007).
Ab initio study of the W-phase of Al-Co-Ni, an approximant of the decagonal Al-Co-Ni quasicrystal.
44. Xie Y., Tse J.S., Cui T., Oganov A.R., He Z., Ma Y., Zou G. (2007).
Electronic and phonon instabilities in face-centered cubic alkali metals under pressure.
43. Dorogokupets P.I., Oganov A.R. (2007).
Ruby, metals, and MgO as alternative pressure scales: A semiempirical description of shock-wave, ultrasonic, x-ray, and thermochemical data at high temperatures and pressures.
42. Glass C.W., Oganov A.R., Hansen N. (2006).
USPEX – evolutionary crystal structure prediction.
Comp. Phys. Comm. 175, 713-720 (
pdf-file).
41. Zhang F., Oganov A.R. (2006).
Valence and spin states of iron impurities in mantle-forming silicates.
Earth Planet. Sci. Lett. 249, 436-443 (
pdf-file).
40. Pushcharovsky D.Yu., Oganov A.R. (2006).
Structural transformations of minerals in deep geospheres: a review.
39. Dorogokupets P.I., Oganov A.R. (2006).
Equations of state of Al, Au, Cu, Pt, Ta and W and the revised ruby pressure scale.
38. Oganov A.R., Glass C.W. (2006).
Crystal structure prediction using ab initio evolutionary techniques: principles and applications.
J. Chem. Phys. 124, art. 244704 (
pdf-file).
37. Martonák R., Donadio D., Oganov A.R., Parrinello M. (2006).
Crystal structure transformations in SiO2 from classical and ab initio metadynamics.
36. Zhang F., Oganov A.R. (2006).
Mechanisms of Al3+ incorporation in MgSiO3 post-perovskite at high pressures.
Earth Planet. Sci. Lett. 248, 54-61 (
pdf-file).
35. Adams D.J., Oganov A.R. (2006).
Ab initio molecular dynamics study of CaSiO3 perovskite at P-T conditions of Earth’s lower mantle.
34. Ono S., Oganov A.R., Koyama T., Shimizu H. (2006).
Stability and compressibility of high-pressure phase of Al2O3 up to 200 GPa: implications for electrical conductivity at the base of the lower mantle.
Earth Planet. Sci. Lett. 246, 326-335 (
pdf-file).
33. Boldyreva E.V., Ahsbahs H., Chernyshev V.V., Ivashevskaya S.N., Oganov A.R. (2006).
Effect of hydrostatic pressure on the crystal structure of sodium oxalate: X-ray diffraction study and ab initio simulations.
32. Ghose S., Krisch M., Oganov A.R., Beraud A., Bossak A., Gulve R., Seelaboyina R., Yang H., Saxena S.K. (2006).
Lattice dynamics of MgO at high pressure: theory and experiment.
31. Oganov A.R., Glass C.W., Ono S. (2006).
High-pressure phases of CaCO3: crystal structure prediction and experiment.
Earth Planet. Sci. Lett. 241, 95-103 (
pdf-file).
30. Oganov A.R., Martonák R., Laio A., Raiteri P., Parrinello M. (2005).
Anisotropy of Earth’s D” layer and stacking faults in the MgSiO3 post-perovskite phase.
29. Oganov A.R., Ono S. (2005).
The high pressure phase of alumina and implications for Earth’s D” layer.
Proc. Natl. Acad. Sci. 102, 10828-10831 (
pdf-file).
28. Ono S. & Oganov A.R. (2005).
In situ observations of phase transition between perovskite and CaIrO3-type phase in MgSiO3 and pyrolitic mantle composition.
Earth and Planetary Science Letters 236, 914-932 (
pdf-file).
27. Adams D.J. & Oganov A.R. (2005).
Theory of minerals at extreme conditions: predictability of structures and properties.
EMU Notes in Mineralogy v.7 (“High-Pressure Behaviour of Minerals”, edited by R. Miletich), 117-138.
26. Jung D.Y. & Oganov A.R. (2005).
Basics of first-principles simulation of matter under extreme conditions.
EMU Notes in Mineralogy v.7 (“High-Pressure Behaviour of Minerals”, edited by R. Miletich), 441-457.
25. Jung D.Y. & Oganov A.R. (2005).
Ab initio study of the high-pressure behaviour of CaSiO3 perovskite.
Phys. Chem. Minerals 32, 146-153 (
pdf-file).
24. Oganov A.R., Price G.D., Scandolo S. (2005).
Ab initio theory of planetary materials.
Zeitschrift fuer Kristallographie 220, 531-548 (
pdf-file).
23. Oganov A.R. & Price G.D. (2005).
Ab initio thermodynamics of MgSiO3 perovskite at high pressures and temperatures.
J. Chem. Phys. 122, art. 124501 (
pdf-file).
22. Alfredsson M., Dobson D.P., Oganov A.R., Catlow C.R.A., Brodholt J.P., Parker S.C., Price G.D. (2005).
Crystal morphology and surface structures of the orthorhombic MgSiO3 perovskite.
Phys. Chem. Minerals 31, 671-682 (
pdf-file).
21. Oganov A.R., Gillan M.J., Price G.D. (2005).
Structural stability of silica at high pressures and temperatures.
20. Oganov A.R. (2004).
Phase diagrams of minerals from first principles.
Proceedings of the CECAM Workshop "First-Principles Simulations: Perspectives and Challenges in Mineral Sciences" (Berichte aus Arbeitskreisen der DGK, Nr. 14, German Crystallographic Society), pp. 53-62.
19. Oganov A.R. & Ono S. (2004).
Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer.
18. Oganov A.R. & Dorogokupets P.I. (2004).
Intrinsic anharmonicity in thermodynamics and equations of state of solids.
J. Phys.: Cond. Matter. 16, 1351-1360. (
pdf-file).
17. Dorogokupets P.I. & Oganov A.R. (2004).
Intrinsic anharmonicity in equations of state of solids and minerals.
Doklady Earth Sciences 395, 238-241. (
pdf-file).
16. Oganov A.R. (2004).
Theory of Minerals at High and Ultrahigh Pressures: Structure, Properties, Dynamics, and Phase Transitions.
In:
High-Pressure Crystallography, NATO Science Series: II: Mathematics, Physics and Chemistry, vol. 140, p.199-215 (edited by A.Katrusiak, P.F.McMillan). Kluwer Academic Publishers, Dordrecht. (
pdf-file).
15. Senyshyn A., Oganov A.R., Vasylechko L., Ehrenberg H., Bismayer U., Berkowski M., Matkovskii A. (2004).
Crystal structure and thermal expansion of the perovskite - type Nd0.75Sm0.25GaO3 - powder diffraction and lattice dynamical studies.
J. Phys.: Cond. Matter. 16, 253-265. (
pdf-file)
14. Dorogokupets P.I. & Oganov A.R. (2003).
Equations of state of Cu and Ag and the revised ruby pressure scale.
Doklady Earth Sciences 391A, 854-857. (
pdf-file)
13. Oganov A.R. & Dorogokupets P.I. (2003).
All-electron and pseudopotential study of MgO: Equation of state, anharmonicity, and stability.
12. Oganov A.R., Gillan M.J., Price G.D. (2003).
Ab initio lattice dynamics and structural stability of MgO.
J. Chem. Phys. 118, 10174-10182. (
pdf-file).
11. Oganov A.R., Brodholt J.P., Price G.D. (2002).
Ab initio theory of thermoelasticity and phase transitions in minerals.
EMU Notes in Mineralogy v.4 (
'Energy Modelling in Minerals', edited by C.M. Gramaccioli), pp.83-170. (
pdf-file).
10. Brodholt J.P., Oganov A.R., Price G.D. (2002).
Computational mineral physics and physical properties of perovskite.
Phil. Trans. Royal Soc. London A360, 2507-2520. (
pdf-file).
9. Oganov A.R., Price G.D., Brodholt J.P. (2001).
Theoretical investigation of metastable Al2SiO5 polymorphs.
See also a highlight in: IUCr newsletter, v. 10, No. 1, p.7 (2002). (
jpg-file)
8. Oganov A.R., Brodholt J.P., Price G.D. (2001).
The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle.
7. Oganov A.R., Brodholt J.P., Price G.D. (2001).
Ab initio elasticity and thermal equation of state of MgSiO3 perovskite.
Earth and Planetary Science Letters 184, 555-560. (
pdf-file).
6. Oganov A.R., Organova N.I., Urusov V.S. (2001).
Nature of Al-Si anti-ordering in a two-phase feldspar from the Pektusan volcano.
Geochem. Int. 39, 1160-1171 (English translation:
pdf);
Geokhimiya, No. 12, 1265-1276 (original paper in Russian:
pdf).
5. Oganov A.R., Brodholt J.P., Price G.D. (2000).
Comparative study of quasiharmonic lattice dynamics, molecular dynamics and Debye model in application to MgSiO3 perovskite.
Phys. Earth Planet. Int. 122, 277-288. (
pdf-file).
4. Oganov A.R. & Brodholt J.P. (2000).
High-pressure phases in the Al2SiO5 system and the problem of Al-phase in Earth's lower mantle: ab initio calculations.
Phys. Chem. Minerals 27, 430-439. (
pdf-file, full
tables with atomic coordinates).
3. Urusov V.S., Eremin N.N., Oganov A.R. (1999).
Modeling of structures and properties of oxide crystals by minimization of the atomization energy.
Crystallography Reports 44, 356-365. (
pdf-file)
2. Urusov V.S., Oganov A.R., Eremin N.N. (1998).
Computer simulation of structure, properties and stability of Al2SiO5 polymorphs. I.Ionic approximation.
Geochem. Int. 36, 397-414. (
pdf-file in Russian)
1. Oganov A.R. (1996).
A finding of rhombohedral pyrite crystals.
Proc. Russian Miner. Soc., No.1, 65-69. (
pdf-file in Russian)
Other publications:
1. Oganov A.R. (2002).
Computer Simulation Studies of Minerals.
PhD Thesis, University of London, 284 pp. (re-printed as a book by University College London) -
PDF-file (large file, be patient! Please note that page enumeration is slightly different from that in the content table, due to file format conversion).
2. Oganov A.R. (2002).
Symmetry Survives Pressure.
Highlight in: IUCr newsletter, v. 10, No. 1, p.7 (2002). (
jpg-file)
3. Ghose S., Krisch M., Oganov A.R., Beraud A., Bossak A., Gulve R., Seelaboyina R., Yang H., Saxena S.K. (2005).
Lattice dynamics of MgO at high pressure: theory and experiment.
4. Oganov A.R. (2007).
High-pressure crystallography.
DSc (Habilitation) Thesis, ETH Zurich.
5. Glass C.W., Oganov A.R. (2007).
Crystal structure prediction with evolutionary algorithms.
IUCr Commission on Powder Diffraction Newsletter 35, 9-12 (June 2007) (
pdf-file).
