Title :
Study the dielectric and optic properties of Ti2XC (X=In, Sn, Al, Cd and Pb) by density function theory
Author :
Yang, Lijun ; Huang, Kama ; Pu, Tianle ; Wang, Bo ; Luo, Ming
Author_Institution :
Sch. of Electron. & Inf. Eng., Sichuan Univ., Chengdu, China
Abstract :
The dielectric function and optic properties of Ti2XC (X = In, Sn, Al, Cd and Pb) were studied by means of pseudo-potential plane-waves method using the density function theory (DFT). Calculations were performed within the generalized gradient approximation (GGA) method to the exchange-correlation approximation energy. The experimental lattice constants and the internal parameters were used in the calculation. The dielectric function and optic properties were calculated by energy band theory.
Keywords :
aluminium compounds; band structure; cadmium compounds; density functional theory; dielectric function; indium compounds; lattice constants; lead compounds; pseudopotential methods; tin compounds; titanium compounds; Ti2AlC; Ti2CdC; Ti2InC; Ti2PbC; Ti2SnC; density functional theory; dielectric function; dielectric properties; energy band theory; exchange-correlation approximation energy; generalized gradient approximation method; internal parameters; lattice constants; optical properties; pseudopotential plane-wave method; Atomic layer deposition; Density functional theory; Dielectrics; Electromagnetic radiation; Electrons; Slabs; Stacking; Thermal conductivity; Thermal resistance; Tin;
Conference_Titel :
Microwave and Millimeter Wave Technology (ICMMT), 2010 International Conference on
Conference_Location :
Chengdu
Print_ISBN :
978-1-4244-5705-2
DOI :
10.1109/ICMMT.2010.5524796
