Sol-gel process is one of the simplest techniques to manufacture thin films. The quality of the prepared films depends on the parameters of the sol-gel process and the used technique for deposition. A great variety of...Sol-gel process is one of the simplest techniques to manufacture thin films. The quality of the prepared films depends on the parameters of the sol-gel process and the used technique for deposition. A great variety of the sol-gel derived films have been prepared for different applications. We present a review on the sol-gel derived coatings. The description of the process is introduced in details. Different sol-gel deposition techniques are mentioned. The optical applications of the sol-gel derived coatings are reviewed.展开更多
Structural evolution of alloys by ball milling during solid state amorphization were studied by means of XAFS technique. The first one is amorphization process of Fe and B powder mixtures by mechanical alloying (MA), ...Structural evolution of alloys by ball milling during solid state amorphization were studied by means of XAFS technique. The first one is amorphization process of Fe and B powder mixtures by mechanical alloying (MA), and the second one is amorphization process of ordered B2 CoZr intermetallic compound by mechanical milling (MM). The mixing process of Fe and B and disintegration process of ordered B2 CoZr intermetallic compound crystal were observed clearly in atomic level by XAFS method. The micro mechanism of amorphization process of alloy by ball milling was discussed.展开更多
In this paper, the symmetry properties of linear combination coefficients for molecular orbitals of diatomicmolecules, using Slater type orbitals, are presented with the help of the symmetry operations in group theory...In this paper, the symmetry properties of linear combination coefficients for molecular orbitals of diatomicmolecules, using Slater type orbitals, are presented with the help of the symmetry operations in group theory. In order totest the presented symmetry properties, the linear combination coefficients of molecular orbitalsfor the ground electronicstate of pilot molecules F2 and CO are calculated using constructed computer programs for Hartree-Fock-Roothaanequation. It is seen that the obtained computing results satisfy the presented symmetry properties.展开更多
In this study,two-center overlap integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers in unaligkned coordinate systems have been calculated using formulas for overlap integr...In this study,two-center overlap integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers in unaligkned coordinate systems have been calculated using formulas for overlap integrals in aligned coordinate systems obtained by the author's previous work (T.Ozdogan and M.Orbay,Int.J.Quant,Chem.87 (2002) 15).The obtained results for integer case have been found to be in excellent agreement with the prior literature.On the other hand,to the best of authors knowledge,because of the scarcity of the literatures on the use of noninteger n-STOs in unaligned coordinate systems,the results for noninteger case have been tested with the limit of integer case,and good agreement has been obtained too.展开更多
Behavior of the Coulomb energy difference for light nuclei is explained in terms of the different values of theaverage Coulomb interaction between two particles. Coulomb energy difference according to shell model of l...Behavior of the Coulomb energy difference for light nuclei is explained in terms of the different values of theaverage Coulomb interaction between two particles. Coulomb energy difference according to shell model of light mirrornuclei in the Coulomb and exchange integrals in the formula can be explained with exponential-type wavefunctions. Inthis study, using the one-center expansion of exponential-type wavcfunctions in terms of Slater-type orbitals with thesame center, we derived formula for Coulomb energy difference of light mirror mulei.展开更多
The comment of Guseinov is irrelevant and also unjust. In contrast to his comment, we show that theobtained electric multipole moment values for some first-row diatomic molecules are original and better than his value...The comment of Guseinov is irrelevant and also unjust. In contrast to his comment, we show that theobtained electric multipole moment values for some first-row diatomic molecules are original and better than his values(I.I. Guseinov, E. Akin, and A.M. Rzaeva, J. Mol. Struct. (Theochem) 453 (1998) 163) with respect to Hartree-Fockvalues. Moreover, it must be noted that all the formulas are cited in our paper (M. Orbay and T. Ozdogan, Commun.Theor. Phys. (Beijing, China) 35 (2001) 585) and corrigendum (M. Orbay and T. Ozdogan, Commun. Theor. Phys.(Beijing, China) 37 (2002) 768).展开更多
基金we are very grateful to the National Natural Scieneo Founda-tion of China(No.69978017,59802007)Shanghai Edu-cation Comrnittee(No.JW99 TJ-03)for their help and 6nancialsupports.
文摘Sol-gel process is one of the simplest techniques to manufacture thin films. The quality of the prepared films depends on the parameters of the sol-gel process and the used technique for deposition. A great variety of the sol-gel derived films have been prepared for different applications. We present a review on the sol-gel derived coatings. The description of the process is introduced in details. Different sol-gel deposition techniques are mentioned. The optical applications of the sol-gel derived coatings are reviewed.
文摘Structural evolution of alloys by ball milling during solid state amorphization were studied by means of XAFS technique. The first one is amorphization process of Fe and B powder mixtures by mechanical alloying (MA), and the second one is amorphization process of ordered B2 CoZr intermetallic compound by mechanical milling (MM). The mixing process of Fe and B and disintegration process of ordered B2 CoZr intermetallic compound crystal were observed clearly in atomic level by XAFS method. The micro mechanism of amorphization process of alloy by ball milling was discussed.
文摘In this paper, the symmetry properties of linear combination coefficients for molecular orbitals of diatomicmolecules, using Slater type orbitals, are presented with the help of the symmetry operations in group theory. In order totest the presented symmetry properties, the linear combination coefficients of molecular orbitalsfor the ground electronicstate of pilot molecules F2 and CO are calculated using constructed computer programs for Hartree-Fock-Roothaanequation. It is seen that the obtained computing results satisfy the presented symmetry properties.
文摘In this study,two-center overlap integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers in unaligkned coordinate systems have been calculated using formulas for overlap integrals in aligned coordinate systems obtained by the author's previous work (T.Ozdogan and M.Orbay,Int.J.Quant,Chem.87 (2002) 15).The obtained results for integer case have been found to be in excellent agreement with the prior literature.On the other hand,to the best of authors knowledge,because of the scarcity of the literatures on the use of noninteger n-STOs in unaligned coordinate systems,the results for noninteger case have been tested with the limit of integer case,and good agreement has been obtained too.
文摘Behavior of the Coulomb energy difference for light nuclei is explained in terms of the different values of theaverage Coulomb interaction between two particles. Coulomb energy difference according to shell model of light mirrornuclei in the Coulomb and exchange integrals in the formula can be explained with exponential-type wavefunctions. Inthis study, using the one-center expansion of exponential-type wavcfunctions in terms of Slater-type orbitals with thesame center, we derived formula for Coulomb energy difference of light mirror mulei.
文摘The comment of Guseinov is irrelevant and also unjust. In contrast to his comment, we show that theobtained electric multipole moment values for some first-row diatomic molecules are original and better than his values(I.I. Guseinov, E. Akin, and A.M. Rzaeva, J. Mol. Struct. (Theochem) 453 (1998) 163) with respect to Hartree-Fockvalues. Moreover, it must be noted that all the formulas are cited in our paper (M. Orbay and T. Ozdogan, Commun.Theor. Phys. (Beijing, China) 35 (2001) 585) and corrigendum (M. Orbay and T. Ozdogan, Commun. Theor. Phys.(Beijing, China) 37 (2002) 768).
