Selected Publications:

The following are a selected list of my publications. For a complete list in pdf format click here.

Computational Materials Science from ab initio to Monte Carlo Methods  (Springer Series in Solid State Sciences, 129) by K. Ohno, K. Esfarjani and Y. Kawazoe (1999)

 

· Band structure and Chemical bonding in C58BN doped fullerenes; PRB, 50, 17830, (1994).

· A bilayer of Wigner crystal in the harmonic approximation; JPCM, 7, p. 7217 (1995).

· Site occupation reversal in FeCr sigma phase ; PRL, 75, p. 3142 (1995).

· Ab-initio MD simulation for collision between C60- and alkali-metal ions: a possibility of Li@C60 ; PRL, 76, p. 3590 (1996).

· Stability and Vibrational spectra of toroidal C240 fullerenes ; Z. fur Phys. D, 41, p. 73 (1997).

· Self-Consistent tight-binding formalism for charged systems, JPCM, 10, 8257 (1998).

· Electronic and transport properties of N-P doped nanotubes; Appl. Phys. Lett. 74, 79 (1999).

· Nonlinear coherent transport through doped nanotube junctions, PRL, 82, 5084 (1999).   Selected by APS Focus 

· Localized-basis-set optimization, Comp. Mat. Sci. 15, 351 (1999).

· Ab initio study of dopant insertion into carbon nanotubes, J. Chem Phys 111, 2164 (1999). 

· Screening at doped nanotube junctions beyond linear response, PRB 65, 165415 (2002).

· Statics and Dynamics of Phase Segregation in Multicomponent Fermion Gas, Eur. Phys. J. D 21, 181 (2002).

· Electronic properties of magnetically doped nanotubes, Bull. Mater. Sci., 26, 1, (2003)

· Oscillator strength calculations in color centers of diamond and the role of spin, Eur. Phys. J. B 39, 441-446 (2004).

· Nonlinear Charging and Transport Times in Doped Nanotubes Junctions, J. Phys. Soc. Jap.74, 515 (2005)

· Molecular Dynamics of single wall carbon nanotube growth on nickel surface, Comp. Mat. Sci (2005)

· Thermoelectric properties of a nanocontact”; Phys. Rev. B, 73, 085406 (2006).

· Thermoelectric transport perpendicular to thin film heterostructures using Monte Carlo technique;  Phys. Rev. B, 74, 195331 (2006).

· Monte Carlo simulation of electron transport in degenerate and inhomogeneous semiconductors;  Appl. Phys. Lett. 90, 092111 (2007).

· ·Nonlinear Peltier and Seebeck coefficients in doped semiconductors; Appl. Phys. Lett. 91, 122104 (2007).