Now showing items 1-4 of 4

    • Antiferromagnetism in Cr3Al and relation to semiconducting behavior 

      Boekelheide, Zoe; Saerbeck, Thomas; Stampfl, Anton; Robinson, Robert; Stewart, Derek; Hellman, Frances (American Physical Society, 2012-03-09)
      Antiferromagnetism and chemical ordering have both been previously suggested as causes of the observed semiconductorlike behavior in Cr3Al. Two films of Cr3Al(001)/MgO(001) were grown under different conditions to achieve ...
    • Band Gap and Electronic structure of an Epitaxial, Semiconducting Cr0.80Al0.20 Thin Film 

      Boekelheide, Z.; Gray, A. X.; Papp, C.; Balke, B.; Stewart, D. A.; Ueda, S.; Kobayashi, K.; Hellman, F.; Fadley, C. S. (American Physical Society, 2010-12-03)
      Cr(1-x)Alx exhibits semiconducting behavior for x=0.15-0.26. This Letter uses hard x-ray photoemission spectroscopy and density functional theory to further understand the semiconducting behavior. Photoemission measurements ...
    • Chemical ordering in Cr3Al and relation to semiconducting behavior 

      Boekelheide, Zoe; Stewart, Derek; Hellman, Frances (American Physical Society, 2012-08-15)
      Cr3Al shows semiconductor-like behavior which has been attributed to a combination of antiferromagnetism and chemical ordering of the Cr and Al atoms on the bcc sublattice. This article presents a detailed theoretical and ...
    • Thermal conductivity of bulk and nanowire Mg2Si_{x}Sn_{1-x} alloys from first principles 

      Li, Wu; Lindsay, Lucas; David, Broido; Stewart, Derek; Mingo, Natalio (American Physical Society, 2012-11-29)
      The lattice thermal conductivity (κ) of the thermoelectric materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and nanowires, without adjustable parameters. We find good agreement with bulk experimental ...