Structural and magnetic properties ofCoPtmixed clusters
نویسندگان
چکیده
منابع مشابه
Structural, Magnetic and Photocatalytic Properties of BiFeO3 Nanoparticles
Single phase BiFeO3 (BFO) nanoparticles as a visible light photocatalyst were successfully synthesized by thermal decomposition of the glyoxylate precursor. The glyoxylate precursors were formed by the redox reaction between ethylene glycol and nitrate ions. The phase evolution, structure and optical properties of BFO nanoparticles were characterized by X-ray diffraction, electron microscopy an...
متن کاملDensity Functional Study on Stability and Structural Properties of Cu n clusters
In this research DFT/B3LYP method has been employed to investigate the geometrical structures,relative stabilities, and electronic properties of Cun (n=3–10) clusters for clarifying the effect of sizeon the properties. Through a careful analysis of the successive binding energies, second-orderdifference of energy and the highest occupied-lowest unoccupied molecular orbital energy gaps as afunct...
متن کاملStructural and Electronic Properties of Gold Clusters
We study the structure and energetics of AuN clusters by means of parameterfree density-functional calculations (N ≤ 8), jellium calculations (N ≤ 60), embeddedatom calculations (N ≤ 150), and parameterized density-functional calculations (N ≤ 40) in combination with different methods for determining the structure of the lowest total energy. By comparing the results from the different approache...
متن کاملMagnetic and electronic properties of rhodium clusters
We have used all-electron local ~LDA! and nonlocal ~GGA! approximations to the density-functional theory to determine binding energies, equilibrium geometries, vibrational frequencies, and magnetic properties of RhN clusters (N<6). We present careful tests on the Rh2 dimer that compare results as calculated with a large ~18-single Gaussian! and a very large ~23-single Gaussian! basis sets. Whil...
متن کاملTemperature evolution of structural and magnetic properties of transition metal clusters
We report an extension of our tight binding molecular dynamics method @Phys. Rev. B 57, 10069 ~1998!# by incorporating the Nosé-bath and the multiple histogram approximations, so as to be applicable to cluster studies at finite temperatures in an efficient way. This generalization allows one to calculate the caloric curve for the cluster and use this to study the effect of temperature on the st...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.74.014439