How to get superhard MnB2: a first-principles study

Superconductive superhard phase of BC7: Predicted via ab initio calculations

(2011) Bowu Dong et al.   DIAMOND AND RELATED MATERIALS

Mechanical and electronic properties of diborides of transition 3d–5d metals from first principles: Toward search of novel ultra-incompressible and superhard materials

(2011) A.L. Ivanovskii   PROGRESS IN MATERIALS SCIENCE

Cubic gauche-CN: A superhard metallic compound predicted via first-principles calculations

(2010) Xiaoli Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations

(2010) Isao Tanaka et al.   JOURNAL OF MATERIALS CHEMISTRY

Thermodynamic Assessment of the Mn-B System

(2010) Weihua Sun et al.   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

First-principles calculations ofMnB2,TcB2, andReB2within theReB2-type structure

(2009) Sezgin Aydin et al.   PHYSICAL REVIEW B

First-principles lattice dynamics calculations of the phase boundary between β-Si3N4and γ-Si3N4at elevated temperatures and pressures

(2008) Atsushi Togo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Is Osmium Diboride An Ultra-Hard Material?

(2008) Jun Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Superhard semiconductingC3N2compounds predicted via first-principles calculations

(2008) Fubo Tian et al.   PHYSICAL REVIEW B