Investigating half-metallicity in PtXSb alloys (X= V, Mn, Cr, Co) at ambient and high pressure
26-07-2017 21:49
Abstract The structural, electronic, magnetic and elastic properties of half-Heusler alloys
PtMnSb, PtVSb, PtCrSb and PtCoSb are investigated using first-principles calculation based
on Density Functional Theory DFT. The Full Potential local Orbital (FPLO) method, within the
General Gradient Approximation (GGA) and Local Spin Density Approximation (LSDA), have
been used. The calculated structural, electronic and magnetic properties are in good
agreement with available experimental and theoretical data. Using GGA approximation, ...
PtMnSb, PtVSb, PtCrSb and PtCoSb are investigated using first-principles calculation based
on Density Functional Theory DFT. The Full Potential local Orbital (FPLO) method, within the
General Gradient Approximation (GGA) and Local Spin Density Approximation (LSDA), have
been used. The calculated structural, electronic and magnetic properties are in good
agreement with available experimental and theoretical data. Using GGA approximation, ...