Novel superhard B–C–O phases predicted from first principles

Ultrahard nanotwinned cubic boron nitride

(2013) Yongjun Tian et al.   NATURE

Unexpected Stable Stoichiometries of Sodium Chlorides

(2013) W. Zhang et al.   SCIENCE

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Microscopic theory of hardness and design of novel superhard crystals

(2012) Yongjun Tian et al.   INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS

Stability of xenon oxides at high pressures

(2012) Qiang Zhu et al.   Nature Chemistry

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

B2CO: A potential superhard material in the B-C-O system

(2011) Yinwei Li et al.   EPL

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Evolutionary search for superhard materials: Methodology and applications to forms of carbon and TiO2

(2011) Andriy O. Lyakhov et al.   PHYSICAL REVIEW B

On the hardness of a new boron phase, orthorhombic γ-B28

(2009) V. L. Solozhenko et al.   Journal of Superhard Materials

Boron: a hunt for superhard polymorphs

(2009) A. R. Oganov et al.   Journal of Superhard Materials

Ionic high-pressure form of elemental boron

(2009) Artem R. Oganov et al.   NATURE

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

Harder than Diamond: Superior Indentation Strength of Wurtzite BN and Lonsdaleite

(2009) Zicheng Pan et al.   PHYSICAL REVIEW LETTERS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Electronegativity Identification of Novel Superhard Materials

(2008) Keyan Li et al.   PHYSICAL REVIEW LETTERS