Structural and electronic properties of carbon-doped c-BN(110) surface

2009-12-15
The structural and electronic properties of a substitutional C atom in a neutral charge state on both the B and N site of the c-BN(110) surface have been investigated from a theoretical point of view using density functional theory. The impurity formation energies [unrelaxed (E(f)(0)) and relaxed (E(f))] are reported for the first time for the c-BN(110) surface.
PHYSICA B-CONDENSED MATTER

Suggestions

Structural and electronic properties of single-wall ZnO nanotubes
Erkoç, Şakir; Kokten, H (Elsevier BV, 2005-07-01)
The structural and electronic properties of armchair and zigzag models of single-wall ZnO nanotubes have been investigated by performing semiempirical molecular orbital self-consistent field calculations at the level of AM1 method within the RHF formulation. It has been found that these structures are stable and endothermic. The armchair model has zero net dipole moment, whereas the zigzag model has nonzero net dipole moment. The interfrontier molecular energy gap of these systems are different; the gap of ...
Structural and electronic properties of bamboo-like carbon nanostructure
Erkoç, Şakir (Elsevier BV, 2006-01-01)
The structural and electronic properties of bamboo-like carbon nanostructure have been investigated qualitatively by performing semi-empirical self-consistent-field molecular orbital calculations at the level of the PM3 method within the RHF formulation. It has been found that these structures are stable and endothermic. Bamboo-like carbon nanostructures resemble zigzag carbon nanotubes capped with a plane graphine sheet.
Structural, optical and magnetic properties of Cd(1-x)CoxS thin films prepared by spray pyrolysis
BACAKSIZ, EMİN; TOMAKİN, MURAT; Altunbas, M.; Parlak, Mehmet; Colakoglu, T. (Elsevier BV, 2008-10-01)
Structural, optical and magnetic properties of CdS thin films with the addition of Co prepared by (i) spray pyrolysis of Cd1-xCoxS (x <= 0.10) thin films (Type 1) and (ii) Co diffusion doped CdS films (Type 2) were investigated. The undoped film has a hexagonal structure with a strong (112) prefer-red orientation. As the Co concentration in CdS is increased, the preferred orientation changes from (112) to (0 0 2) direction. X-ray photoelectron spectroscopy (XPS) analysis shows that Co atoms on the surface o...
Forward and reverse bias current-voltage characteristics of Au/n-Si Schottky barrier diodes with and without SnO2 insulator layer
GÖKÇEN, MUHARREM; ALTINDAL, ŞEMSETTİN; Karaman, M.; Aydemir, U. (Elsevier BV, 2011-11-01)
The effects of interfacial insulator layer, interface states (N-ss) and series resistance (R-s) on the electrical characteristics of Au/n-Si structures have been investigated using forward and reverse bias current-voltage (I-V) characteristics at room temperature. Therefore, Au/n-Si Schottky barrier diodes (SBDs) were fabricated as SBDs with and without insulator SnO2 layer to explain the effect of insulator layer on main electrical parameters. The values of ideality factor (n), R-s and barrier height (Phi(...
Structural and molecular electronic properties of B-N ring doped single-wall carbon nanotubes
Malcıoğlu, Osman Barış; Erkoc, A (Elsevier BV, 2005-08-01)
Various molecular electronic properties of boron-nitride nanotube ring doped four different single-wall carbon nanotubes are investigated theoretically by performing self-consistent-field molecular-orbital semi-empirical and density functional theory calculations. Results are compared with corresponding carbon nanotubes. It is seen that polar nature of the boron-nitride nanotube ring lead to a spontaneous polarization, an electrostatic potential barrier occurs in metallic carbon nanotube models, and these m...
Citation Formats
H. Kökten, “Structural and electronic properties of carbon-doped c-BN(110) surface,” PHYSICA B-CONDENSED MATTER, pp. 4937–4938, 2009, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/42843.