Mechanical and metallic properties of tantalum nitrides from first-principles calculations

High-pressure close-packed structure of boron

(2013) Da Li et al.   RSC Advances

Lowest enthalpy polymorph of cold-compressed graphite phase

(2012) Da Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Atomic layer deposition of TaN and Ta3N5 using pentakis(dimethylamino)tantalum and either ammonia or monomethylhydrazine

(2011) Ziwen Fang et al.   JOURNAL OF CRYSTAL GROWTH

Phase Stability and Physical Properties of Manganese Borides: A First-Principles Study

(2011) Bing Wang et al.   Journal of Physical Chemistry C

First principles study of structural, elastic, electronic and optical properties of Nb2N and Ta2N compounds

(2011) T. Chihi et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Structural Modifications and Mechanical Properties of Molybdenum Borides from First Principles

(2010) Meiguang Zhang et al.   Journal of Physical Chemistry C

Phase stability and mechanical properties of tungsten borides from first principles calculations

(2010) Erjun Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-Pressure Synthesis of Tantalum Nitride Having Orthorhombic U2S3Structure

(2009) Andreas Zerr et al.   ADVANCED FUNCTIONAL MATERIALS

Possible pitfalls in theoretical determination of ground-state crystal structures: The case of platinum nitride

(2009) Xiuwen Zhang et al.   PHYSICAL REVIEW B

Ultimate Metastable Solubility of Boron in Diamond: Synthesis of Superhard DiamondlikeBC5

(2009) Vladimir L. Solozhenko et al.   PHYSICAL REVIEW LETTERS

Thermodynamic and Mechanical Stabilities of Tantalum Nitride

(2009) Chao Jiang et al.   PHYSICAL REVIEW LETTERS

First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM=Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

(2008) G. Ghosh et al.   ACTA MATERIALIA

First-principles study of the structural stability and electronic structures of TaN

(2008) C. L. Cao et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Superhard semiconductingC3N2compounds predicted via first-principles calculations

(2008) Fubo Tian et al.   PHYSICAL REVIEW B