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1

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study

Yu, Shuyin, Zeng, Qingfeng, Oganov, Artem R., Frapper, Gilles, Zhang, Litong

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.74 MB

english, 2015

2

Transparent dense sodium

Ma, Yanming, Eremets, Mikhail, Oganov, Artem R., Xie, Yu, Trojan, Ivan, Medvedev, Sergey, Lyakhov, Andriy O., Valle, Mario, Prakapenka, Vitali

Journal:

Year:

2009

Language:

english

File:

PDF, 700 KB

english, 2009

3

Superconductivity of lithium-doped hydrogen under high pressure

Xie, Yu, Li, Quan, Oganov, Artem R., Wang, Hui

Journal:

Acta Crystallographica Section C Structural Chemistry

Year:

2014

Language:

english

File:

PDF, 1.58 MB

english, 2014

4

Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer

Oganov, Artem R., Ono, Shigeaki

Journal:

Year:

2004

Language:

english

File:

PDF, 232 KB

english, 2004

5

Ionic high-pressure form of elemental boron

Oganov, Artem R., Chen, Jiuhua, Gatti, Carlo, Ma, Yanzhang, Ma, Yanming, Glass, Colin W., Liu, Zhenxian, Yu, Tony, Kurakevych, Oleksandr O., Solozhenko, Vladimir L.

Journal:

Year:

2009

Language:

english

File:

PDF, 878 KB

english, 2009

6

Systematic search for low-enthalpy sp^{3} carbon allotropes using evolutionary metadynamics

Zhu, Qiang, Zeng, Qingfeng, Oganov, Artem R.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 845 KB

english, 2012

7

Ab initio elasticity and thermal equation of state of MgSiO3 perovskite

Artem R Oganov, John P Brodholt, G.David Price

Journal:

Earth and Planetary Science Letters

Year:

2001

Language:

english

File:

PDF, 201 KB

english, 2001

8

How Evolutionary Crystal Structure Prediction Works—and Why

Oganov, Artem R., Lyakhov, Andriy O., Valle, Mario

Journal:

Accounts of Chemical Research

Year:

2011

Language:

english

File:

PDF, 5.10 MB

english, 2011

9

Denser than diamond: Ab initio search for superdense carbon allotropes

Zhu, Qiang, Oganov, Artem R., Salvadó, Miguel A., Pertierra, Pilar, Lyakhov, Andriy O.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 433 KB

english, 2011

10

Publisher’s Note: Denser than diamond: Ab initio search for superdense carbon allotropes [Phys. Rev. B 83 , 193410 (2011)]

Zhu, Qiang, Oganov, Artem R., Salvado, Miguel A., Pertierra, Pilar, Lyakhov, Andriy O.

Journal:

Physical Review B

Year:

2011

File:

PDF, 25 KB

2011

11

Compressed carbon nanotubes: A family of new multifunctional carbon allotropes

Hu, Meng, Zhao, Zhisheng, Tian, Fei, Oganov, Artem R., Wang, Qianqian, Xiong, Mei, Fan, Changzeng, Wen, Bin, He, Julong, Yu, Dongli, Wang, Hui-Tian, Xu, Bo, Tian, Yongjun

Journal:

Scientific Reports

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

12

Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions

Zhou, Xiang-Feng, Dong, Xiao, Oganov, Artem R., Zhu, Qiang, Tian, Yongjun, Wang, Hui-Tian

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

13

Superconducting high-pressure phase of cesium iodide

Xu, Ying, Tse, John S., Oganov, Artem R., Cui, Tian, Wang, Hui, Ma, Yanming, Zou, Guangtian

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 306 KB

english, 2009

14

Discovery of γ-B28, a Novel Boron Allotrope with Partially Ionic Bonding

Oganov, Artem R.

Journal:

MRS Proceedings

Year:

2011

Language:

english

File:

PDF, 1.19 MB

english, 2011

15

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5–6–7 Carbon Rings with Distorted Dirac Cones

Wang, Zhenhai, Zhou, Xiang-Feng, Zhang, Xiaoming, Zhu, Qiang, Dong, Huafeng, Zhao, Mingwen, Oganov, Artem R.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.12 MB

english, 2015

16

Novel phase of beryllium fluoride at high pressure

Rakitin, Maksim S., Oganov, Artem R, Niu, Haiyang, Davari Esfahani, M. Mahdi, Zhou, Xiang-Feng, Qian, Guang-Rui, Solozhenko, Vladimir L.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.55 MB

english, 2015

17

Pressure-stabilized hafnium nitrides and their properties

Zhang, Jin, Oganov, Artem R., Li, Xinfeng, Niu, Haiyang

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 924 KB

english, 2017

18

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Shtukenberg, Alexander G., Zhu, Qiang, Carter, Damien J., Vogt, Leslie, Hoja, Johannes, Schneider, Elia, Song, Hongxing, Pokroy, Boaz, Polishchuk, Iryna, Tkatchenko, Alexandre, Oganov, Artem R., Rohl,

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 7.88 MB

english, 2017

19

Energy-free machine learning force field for aluminum

Kruglov, Ivan, Sergeev, Oleg, Yanilkin, Alexey, Oganov, Artem R.

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 2.08 MB

english, 2017

20

Iron Superhydrides FeH 5 and FeH 6 : Stability, Electronic Properties and Superconductivity

Kvashnin, Alexander G., Kruglov, Ivan A., Semenok, Dmitrii V., Oganov, Artem R.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.89 MB

english, 2018

21

Actinium Hydrides AcH 10 , AcH 12 , AcH 16 as High-Temperature Conventional Superconductors

Semenok, Dmitrii, Kvashnin, Alexander G., Kruglov, Ivan A., Oganov, Artem R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 2.55 MB

english, 2018

22

Grain boundary phases in bcc metals

Frolov, Timofey, Setyawan, Wahyu, Kurtz, Richard, Marian, Jaime, Oganov, Artem R., Rudd, Robert E, Zhu, Qiang

Journal:

Year:

2018

Language:

english

File:

PDF, 9.64 MB

english, 2018

23

Simple and accurate model of fracture toughness of solids

Niu, Haiyang, Niu, Shiwei, Oganov, Artem R.

Journal:

Journal of Applied Physics

Year:

2019

Language:

english

File:

PDF, 1.25 MB

english, 2019

24

Structure prediction drives materials discovery

Oganov, Artem R., Pickard, Chris J., Zhu, Qiang, Needs, Richard J.

Journal:

Nature Reviews Materials

Year:

2019

File:

PDF, 4.05 MB

2019

25

A model of hardness and fracture toughness of solids

Mazhnik, Efim, Oganov, Artem R.

Journal:

Journal of Applied Physics

Year:

2019

Language:

english

File:

PDF, 1.52 MB

english, 2019

26

Weak Coulomb correlations stabilize the electride high-pressure phase of elemental calcium

Novoselov, Dmitry, Korotin, Dmitry, Shorikov, Alexey O, Oganov, Artem R, Anisimov, Vladimir I

Journal:

Journal of Physics Condensed Matter

Year:

2020

File:

PDF, 9.00 MB

2020

27

The search for stable cocrystals of energetic materials using evolutionary algorithm USPEX.

Pakhnova, Maria, Kruglov, Ivan, Yanilkin, Aleksey, Oganov, Artem

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 6.58 MB

2020

28

Nonempirical Definition of the Mendeleev Numbers: Organizing the Chemical Space

Allahyari, Zahed, Oganov, Artem R.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 12.79 MB

2020

29

USPEX—Evolutionary crystal structure prediction

Colin W. Glass, Artem R. Oganov, Nikolaus Hansen

Journal:

Computer Physics Communications

Year:

2006

Language:

english

File:

PDF, 762 KB

english, 2006

30

How to predict very large and complex crystal structures

Andriy O. Lyakhov, Artem R. Oganov, Mario Valle

Journal:

Computer Physics Communications

Year:

2010

Language:

english

File:

PDF, 1.77 MB

english, 2010

31

Ab initiostudy of the high-pressure behavior of CaSiO3perovskite

Daniel Y. Jung, Artem R. Oganov

Journal:

Physics and Chemistry of Minerals

Year:

2005

Language:

english

File:

PDF, 391 KB

english, 2005

32

High-pressure phases in the Al2SiO5system and the problem of aluminous phase in the Earth's lower mantle:ab initiocalculations

Artem R. Oganov, John P. Brodholt

Journal:

Physics and Chemistry of Minerals

Year:

2000

Language:

english

File:

PDF, 253 KB

english, 2000

33

10.1038/35082048

Oganov, Artem R., Brodholt, John P., Price, G. David

Journal:

Year:

2001

Language:

english

File:

PDF, 753 KB

english, 2001

34

Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase

Oganov, Artem R., Martoňák, Roman, Laio, Alessandro, Raiteri, Paolo, Parrinello, Michele

Journal:

Year:

2005

Language:

english

File:

PDF, 206 KB

english, 2005

35

Ionic high-pressure form of elemental boron

Oganov, Artem R., Chen, Jiuhua, Gatti, Carlo, Ma, Yanzhang, Ma, Yanming, Glass, Colin W., Liu, Zhenxian, Yu, Tony, Kurakevych, Oleksandr O., Solozhenko, Vladimir L.

Journal:

Year:

2009

Language:

english

File:

PDF, 40 KB

english, 2009

36

Crystal structure transformations in SiO2 from classical and ab initio metadynamics

Martoňák, Roman, Donadio, Davide, Oganov, Artem R., Parrinello, Michele

Journal:

Nature Materials

Year:

2006

Language:

english

File:

PDF, 371 KB

english, 2006

37

Superhard Monoclinic Polymorph of Carbon

Li, Quan, Ma, Yanming, Oganov, Artem, Wang, Hongbo, Wang, Hui, Xu, Ying, Cui, Tian, Mao, Ho-Kwang, Zou, Guangtian

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 733 KB

english, 2009

38

Evolutionary metadynamics: a novel method to predict crystal structures

Zhu, Qiang, Oganov, Artem R., Lyakhov, Andriy O.

Journal:

Year:

2012

Language:

english

File:

PDF, 678 KB

english, 2012

39

How to quantify energy landscapes of solids

Oganov, Artem R., Valle, Mario

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.66 MB

english, 2009

40

Fe–C and Fe–H systems at pressures of the Earth's inner core

Bazhanova, Zulfiya G, Oganov, Artem R, Gianola, Omar

Journal:

Physics Uspekhi

Year:

2012

Language:

english

File:

PDF, 568 KB

english, 2012

41

Ab initio theory of planetary materials

Oganov, Artem R., Price, G. David, Scandolo, Sandro

Journal:

Zeitschrift für Kristallographie

Year:

2005

Language:

english

File:

PDF, 691 KB

english, 2005

42

In situ observations of phase transition between perovskite and CaIrO3-type phase in MgSiO3 and pyrolitic mantle composition

Shigeaki Ono, Artem R. Oganov

Journal:

Earth and Planetary Science Letters

Year:

2005

Language:

english

File:

PDF, 369 KB

english, 2005

43

High-pressure phases of CaCO3: Crystal structure prediction and experiment

Artem R. Oganov, Colin W. Glass, Shigeaki Ono

Journal:

Earth and Planetary Science Letters

Year:

2006

Language:

english

File:

PDF, 428 KB

english, 2006

44

Stability and compressibility of the high-pressure phases of Al2O3 up to 200 GPa: Implications for the electrical conductivity of the base of the lower mantle

Shigeaki Ono, Artem R. Oganov, Takao Koyama, Hisayoshi Shimizu

Journal:

Earth and Planetary Science Letters

Year:

2006

Language:

english

File:

PDF, 276 KB

english, 2006

45

Mechanisms of Al3+ incorporation in MgSiO3 post-perovskite at high pressures

Feiwu Zhang, Artem R. Oganov

Journal:

Earth and Planetary Science Letters

Year:

2006

Language:

english

File:

PDF, 403 KB

english, 2006

46

Valence state and spin transitions of iron in Earth's mantle silicates

Feiwu Zhang, Artem R. Oganov

Journal:

Earth and Planetary Science Letters

Year:

2006

Language:

english

File:

PDF, 226 KB

english, 2006

47

High-pressure phase transformations of FeS: Novel phases at conditions of planetary cores

Shigeaki Ono, Artem R. Oganov, John P. Brodholt, Lidunka Vočadlo, Ian G. Wood, Andriy Lyakhov, Colin W. Glass, Alexander S. Côté, G. David Price

Journal:

Earth and Planetary Science Letters

Year:

2008

Language:

english

File:

PDF, 782 KB

english, 2008

48

Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle

Artem R. Oganov, Shigeaki Ono, Yanming Ma, Colin W. Glass, Alberto Garcia

Journal:

Earth and Planetary Science Letters

Year:

2008

Language:

english

File:

PDF, 1.36 MB

english, 2008

49

Comparative study of quasiharmonic lattice dynamics, molecular dynamics and Debye model applied to MgSiO3 perovskite

Artem R. Oganov, John P. Brodholt, G. David Price

Journal:

Physics of the Earth and Planetary Interiors

Year:

2000

Language:

english

File:

PDF, 175 KB

english, 2000

50

Stability of xenon oxides at high pressures

Zhu, Qiang, Jung, Daniel Y., Oganov, Artem R., Glass, Colin W., Gatti, Carlo, Lyakhov, Andriy O.

Journal:

Nature Chemistry

Year:

2012

Language:

english

File:

PDF, 1.27 MB

english, 2012