Browsing by Subject "ab initio calculations"

Now showing items 1-2 of 2

    • First-principles prediction of enhanced magnetic anisotropy in FeCo alloys 

      Wu, Dangxin; Zhang, Qiming; Liu, J. Ping; Yuan, Dingwang; Wu, Ruqian (American Institute of PhysicsDepartment of Physics, The University of Texas at Arlington, 2008-02-04)
      The structural, electronic, and magnetic properties of FeCo alloys were studied by first-principles calculations. It has been found that the alloys prefer chemically noncubic geometries in a wide composition range. This ...

    • pH-dependence of conduction type in cuprous oxide synthesized from solution 

      Tao, Meng; Wang, Longcheng; Zhang, Qiming; Wu, Dangxin; Wang, Weichao (AIP;Department of Physics, University of Texas at ArlingtonDepartment of Electrical Engineering, University of Texas at Arlington, 2010-06-28)
      The formation of native point defects in cuprous oxide, Cu2O, synthesized from solution has been studied by first-principles calculations. Although p-type conduction is obtained in Cu2O synthesized from vacuum regardless ...