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- 저자 : Tiem Leong Yoon (검색결과 2 건)
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Yee Hui Robin Chang,Tiem Leong Yoon,Thong Leng Lim 한국물리학회 2016 Current Applied Physics Vol.16 No.10
The frequency dependent linear and second order nonlinear susceptibilities of AlxIn1xN have been studied by means of density functional theory within the random phase approximation. Predicted stable AleIneN phases from our previous study were investigated. Scissor shift from earlier work was supplemented so as to activate the self-energy effects in response function calculations. By considering the many-body effects, optical calculations of semiconductors are improved. Apart from analyzing the real and imaginary optical spectra, calculations of refractive index were also carried out. Both low energy limit of real part and refractive index are increasing monotonically with a decrease in Al composition. Analyses of intraband and interband contributions towards nonlinear c2 333 ð2u; u; uÞ are too discussed. Our calculations show that c2 333 ð0Þ values for the stable alloys range from 0.18 to 120.98 pm/V.
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Yusuf Zuntu Abdullahi,Tiem Leong Yoon,Mohd Mahadi Halim,Md. Roslan Hashim,Mohd. Zubir Mat Jafri,Lim Thong Leng 한국물리학회 2016 Current Applied Physics Vol.16 No.8
In this paper, geometric, electric and magnetic properties of graphitic heptazine with embedded Mn atom under bi-axial tensile strain are investigated using density-functional theory with the spin polarized generalized gradient approximation and Hubbard U correction. The binding energy computed for the systems are found to uniformly decrease with the increase in small bi-axial tensile strain (0e5%). The decrease of the binding energy can be related to the increase in the NeCeN bond angle within the cavity which tries to recover its sp2 hybridized bond. The projected density of states (PDOS) of strained/unstrained systems is also computed. It is found that the covalent bonding of the 6 nitrogen atoms located at the edge of the cavity and the embedded manganese atom in CN1 is mainly contributed by s, dzx and dz2 of the Mn atom, as well as the sp-like orbitals of these nitrogen atoms in the majority spin state respectively. Our calculations also predict enhanced band gap (0.67 eV at zero strain, 1.12 eV at 4% strain) induced by small amount of bi-axial tensile strain. The increase in band gap can be attributed to the structural distortions of the sheet caused by the symmetric deformations which lead to the backward shift in the s-like orbitals states of the CN1 atoms. Such properties may be desirable for diluted magnetic semiconductors, future spintronics, molecular magnet and nanoelectronics devices.
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