output
20062026
most citedSemimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions

646 citations

Showing 2012 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2012★ 20 cited

Prediction of topological insulating behavior in Hg2CuTi-type Heusler compounds from first principles

X. M. Zhang, W. H. Wang, E. K. Liu +3

The topological band structures of the X2YZ Heusler compounds with the Hg2CuTi structure are investigated by using first-principles calculations within density functional theory. O…

cond-mat.mtrl-sci2012★ 20 cited

Generalized Slater-Pauling rule for the inverse Heusler compounds

S. Skaftouros, K. Ozdogan, E. Sasioglu +1

We present extensive first-principles calculations on the inverse full-Heusler compounds having the chemical formula XYZ where (X = Sc, Ti, V, Cr or Mn), (Z = Al, Si or As) and…

cond-mat.mtrl-sci2012★ 14 cited

Fabrication and characterization of the gapless half-Heusler YPtSb thin films

Wenhong Wang, Yin Du, Enke Liu +2

Half-Heusler YPtSb thin films were fabricated by magnetron co-sputtering method on MgO-buffered SiO2/Si(001) substrates. X-ray diffraction pattern and Energy dispersive X-ray spect…

cond-mat.mtrl-sci2012★ 24 cited

Half-metallicity and magnetism of GeTe doped with transition metals V, Cr and Mn: a theoretical study from the viewpoint of application in spintronics

Y. Liu, S. K. Bose, J. Kudrnovský

This work presents results for the magnetic properties of the compound GeTe doped with 3d transition metals V, Cr and Mn from the viewpoint of potential application in spintronics.…

cond-mat.mtrl-sci2012★ 123 cited

Temperature dependent elastic constants and ultimate strength of graphene and graphyne

Tianjiao Shao, Bin Wen, Roderick Melnik +3

Based on the first principles calculation combined with quasi-harmonic approximation, in this work we focus on the analysis of temperature dependent lattice geometries, thermal exp…

cond-mat.mtrl-sci2012★ 56 cited

Temperature dependent elastic constants for crystals with arbitrary symmetry: combined first principles and continuum elasticity theory

Tianjiao Shao, Bin Wen, Roderick Melnik +3

To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free en…