Quantum design and synthesis of a boron–oxygen–yttrium phase

Music, Denis; Chirita, Valeriu; Kreissig, Ulrich; Czigány, Zsolt; Schneider, Jochen M.; Helmersson, Ulf
June 2003
Applied Physics Letters;6/16/2003, Vol. 82 Issue 24, p4286
Academic Journal
Ab initio calculations are used to design a crystalline boron-oxygen-yttrium (BOY) phase. The essential constituent is yttrium substituting for oxygen in the boron suboxide structure (BO[SUB0.17]) with Y/B and O/B ratios of 0.07. The calculations predict that the BOY phase is 0.36 eV/atom more stable than crystalline BO[SUB0.17] and experiments confirm the formation of crystalline thin films. The BOY phase was synthesized with reactive rf magnetron sputtering and identified with x-ray and selected area electron diffraction. Films with Y/B ratios ranging from 0.10 to 0.32, as determined via elastic recoil detection analysis, were grown over a wide range of temperatures (300- 600[SUP°]C) and found to withstand 1000[SUP°]C.


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