Electronic and mechanical properties of wurtzite type SiC nanowires

Durandurdu M.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, cilt.243, sa.5, 2006 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 243 Sayı: 5
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1002/pssb.200642041
  • Dergi Adı: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Abdullah Gül Üniversitesi Adresli: Hayır

Özet

Pure and hydrogen terminated silicon carbide (SiC) nanowires grown along [0001] direction in the wurtzite structure are studied using ab initio density functional theory calculations. The pure wires preserve their crystalline-like topology with only small relaxations on their surface. Also, the pure wires are semiconducting, but their band gap energy decreases with decreasing diameter due to the presence of surface states. As expected, hydrogen saturation induces a broadening of the band gap energy because of the quantum confinement effect. SiC nanowires are also predicted to be very rigid. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.