Electronic, structural, and elastic properties of metal nitrides XN (X = Sc, Y): A first principle study

Hardness analysis of cubic metal mononitrides from first principles

(2012) B. D. Fulcher et al.   PHYSICAL REVIEW B

Trends in the elastic response of binary early transition metal nitrides

(2012) David Holec et al.   PHYSICAL REVIEW B

First principle electronic, structural, elastic, and optical properties of strontium titanate

(2012) Chinedu E. Ekuma et al.   AIP Advances

Local density approximation description of electronic properties of wurtzite cadmium sulfide (w-CdS)

(2011) E. C. Ekuma et al.   CANADIAN JOURNAL OF PHYSICS

Ab-initioElectronic and Structural Properties of Rutile Titanium Dioxide

(2011) Chinedu E. Ekuma et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Electronic structure, vibrational spectrum, and thermal properties of yttrium nitride: A first-principles study

(2011) Bivas Saha et al.   JOURNAL OF APPLIED PHYSICS

Ab-initio local density approximation description of the electronic properties of zinc blende cadmium sulfide (zb-CdS)

(2011) E.C. Ekuma et al.   PHYSICA B-CONDENSED MATTER

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

Towards predictive modeling of near-edge structures in electron energy-loss spectra of AlN-based ternary alloys

(2011) D. Holec et al.   PHYSICAL REVIEW B

Ab initio study of structural, electronic, elastic, and phonon properties of ScN and ScP at ambient and high pressure

(2010) Premlata Pandit et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Accurate treatment of solids with the HSE screened hybrid

(2010) Thomas M. Henderson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Doping-dependent thermopower of PbTe from Boltzmann transport calculations

(2010) David J. Singh   PHYSICAL REVIEW B

Ab initio calculations of yttrium nitride: structural and electronic properties

(2009) S. Zerroug et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Stability and magnetic properties of Mn-substituted ScN semiconductor from first principles

(2008) A. Houari et al.   COMPUTATIONAL MATERIALS SCIENCE

Parameterized local hybrid functionals from density-matrix similarity metrics

(2008) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

Dielectric properties and excitons for extended systems from hybrid functionals

(2008) Joachim Paier et al.   PHYSICAL REVIEW B

Universal Elastic Anisotropy Index

(2008) Shivakumar I. Ranganathan et al.   PHYSICAL REVIEW LETTERS

Structural, electronic and optical properties of (Sc,Y)N solid solutions

(2008) J.M. Gregoire et al.   THIN SOLID FILMS

First principles study on the formation of yttrium nitride in cubic and hexagonal phases

(2007) G. Soto et al.   COMPUTATIONAL MATERIALS SCIENCE

Structural and electronic properties of bulk YN and of the YN/ScN superlattice

(2007) Youcef Cherchab et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES