Structural, mechanical and electronic properties of 3d transition metal nitrides in cubic zincblende, rocksalt and cesium chloride structures: a first-principles investigation

Structural stability, phase transition, and mechanical and electronic properties of transition metal nitrides MN (M=Tc, Re, Os, and Ir): First-principles calculations

(2012) Yachun Wang et al.   COMPUTATIONAL MATERIALS SCIENCE

Microscopic theory of hardness and design of novel superhard crystals

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

Structural and elastic properties of TiN under high pressure

(2012) Ke Liu et al.   PHYSICA B-CONDENSED MATTER

Trends in the elastic response of binary early transition metal nitrides

(2012) David Holec et al.   PHYSICAL REVIEW B

The structural and mechanical properties of CdN compound: A first principles study

(2011) E. Ateser et al.   COMPUTATIONAL MATERIALS SCIENCE

Theoretical investigation on the transition-metal borides with Ta3B4-type structure: A class of hard and refractory materials

(2011) Naihua Miao et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles studies of the electronic and elastic properties of metal nitrides XN (X=Sc, Ti, V, Cr, Zr, Nb)

(2011) M.G. Brik et al.   COMPUTATIONAL MATERIALS SCIENCE

Compressibility of cubic vanadium mononitride

(2011) D. Dzivenko et al.   EPL

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Pressure induced phase transitions in transition metal nitrides: Ab initio study

(2011) Anurag Srivastava et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

Structural, mechanical and electronic properties of 4d transition metal mononitrides by first-principles

(2010) Erjun Zhao et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principle calculations of the bulk properties of 4d transition metal carbides and nitrides in the rocksalt, zincblende and wurtzite structures

(2010) K.K. Korir et al.   DIAMOND AND RELATED MATERIALS

Elastic properties and electronic structures of 4d- and 5d-transition metal mononitrides

(2010) W. Chen et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Strength and elastic moduli of TiN from radial x-ray diffraction under nonhydrostatic compression up to 45 GPa

(2010) Haihua Chen et al.   JOURNAL OF APPLIED PHYSICS

First-principles calculations of mechanical properties of TiC and TiN

(2009) Y. Yang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A hard semiconductor OsN4with high elastic constantc44

(2009) Wen Jie Zhao et al.   Physica Status Solidi-Rapid Research Letters

First-principles investigation of technetium carbides and nitrides

(2009) Yongcheng Liang et al.   PHYSICAL REVIEW B

Ab initio study on the physical properties of CoN3 and RhN3 with skutterudite structure

(2008) Zhijian Wu et al.   COMPUTATIONAL MATERIALS SCIENCE

Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures

(2008) Hongzhi Fu et al.   COMPUTATIONAL MATERIALS SCIENCE

Electronic and mechanical properties of 5d transition metal mononitrides via first principles

(2008) Erjun Zhao et al.   JOURNAL OF SOLID STATE CHEMISTRY

Super hard cubic phases of period VI transition metal nitrides: First principles investigation

(2008) S.K.R. Patil et al.   THIN SOLID FILMS