位置：成果数据库 > 期刊 > 期刊详情页
Density functional theory study of AunMn(n=1-8) clusters
  • ISSN号：0022-3697
  • 期刊名称：Journal of Physics and Chemistry of Solids
  • 时间：0
  • 页码：770-775
  • 语言：英文
  • 相关项目：单分子磁体电磁结构与磁量子隧穿现象理论研究
作者： Xiao-Yu, Kuang|Jian-Jun, Guo|Ben-Xia, Zheng|Dong, Die|
同期刊论文项目
单分子磁体电磁结构与磁量子隧穿现象理论研究
期刊论文 71
同项目期刊论文
The fine structure levels and spin-singlet contributions to zero-field-splitting parameters of Cr2+
Comparative study of EPR spectra and crystal field effect on local structure for (NiF6)(4-) coordina
Theoretical study of electron paramagnetic resonance spectra and local structure of trigonal [Cr(H2O
Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure
Structural, electronic, and magnetic properties of gold cluster anions doped with zinc: AunZn- (2 &l
Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)6]3+ coord
EPR parameters and local lattice structure study of V2+ ions in CdCl2 and CsMgCl3 crystals
Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a vari
Theoretical study of local structure and ground-state splitting of Cs-2 NaMF6 (M= Al, Ga):Cr3+ compl
Theoretical study of local polarization phenomena of (CrO6)(9-) cluster in emerald
EPR studies for [Mn(H2O)6]2+ complex in MSnF6·6H2O:Mn2+ (M = Zn, Co) and Cd(BF4)2·6H2O:M
Study of local structures and optical spectra for octahedral Fe3+ centers in a series of garnet crys
Geometries, stabilities, and electronic properties of small anion Mg-doped gold clusters: A density
Geometries, stabilities, and magnetic properties of Cr@Aun (n=1-8) clusters: Density functional theo
Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M=Al, Ga) systems
Theoretical studies of EPR spectra and defect structure for Er3+ center in lithium niobate
Density functional study of structural and electronic properties of bimetallic copper-gold clusters:
Theoretical investigations of the local structure distortion and relationship between the EPR parame
Effects of the transverse Ising model parameters on the polarizations of multi-surface ferroelectric
The Curie Temperature of the Ferroelectric Superlattice Films with Surface Modification
Surface Magnetic Effects in an Alternating Superlattice
Local Structure Determination of Tetragonal Cr2+ Center in CdS Semiconductor
Determination of the local molecular structure of metal perchlorate complex from the electron parama
Correlation between Zero-Field Splitting and Site Distortions of Cr3+ Ions in NH4Cl:Cr3+ System: a C
First-principle study of AunFe (n=1-7) clusters
Theoretical study on local defect structure of (FeO4)5- clusters in YGG and LGG crystals
Theoretical study of the local lattice structure for Mn2+ in the K2MgF4:Mn2+ system
Investigation of the local structure and the effects of the orbit reduction factor on the EPR g-fact
Comparative analysis of the difference of local structure between EPR theory and X-ray diffraction e
Structural, spectral characterization and electron paramagnetic resonance studies of Ni2+ ions in va
Effects of Concentration, Temperature and Hydrostatic Pressure on the Local Lattice Structure of Ni2
EPR investigation of local structure for [Mn(H2O)6]2+ cluster in [M(H2O)6]XCl6:Mn2+ (M = Zn, Mg, Cd,
Theoretical study of spin singlets contributions to zero-field splitting and local lattice structure
EPR and optical spectra of Ni2+-VAg in silver chloride and silver bromide
Theoretical investigation of the local lattice structure of Cr2+ ion at tetragonal sites in GaAs sem
Local lattice structure of Mn2+ ions in (MnO6)10- coordination complex: Complete diagonalization of
Theoretical study of local structure for Ni2+ ions at tetragonal sites in K2ZnF4:Ni2+ system
Theoretical analysis of EPR parameters and local structure for Fe3+ ion in cadmium chloride crystal
Local structural properties of (NiF6)4- clusters in perovskite fluorides RbMF3 (M = Cd2+, Ca2+, Mg2+
Investigation of the Local Lattice Structure and the Effects of the Orbital Reduction Factor on the
Investigation of local lattice structure around Cr3+ ions at the trigonal and tetragonal sites in Rb
Studies of EPR theory and trigonal distortion of the (NiX6)4- clusters (X = halide ion) in the serie
Theoretical study of EPR spectra and local structure for (NiO6)10- cluster in LiNbO3:Ni2+ and Al2O3:
Local structure and EPR g factors for KAl(MoO4)2:Cr3+ and RbIn(MoO4)2:Cr3+ systems
Phase transition properties of a ferroelectric superlattice with surface modification
Investigation of optical spectra and local structure for (CrF6)3- cluster in Cs2NaAlF6:Cr3+ and Cs2N
Theoretical investigation of local lattice structure of the tetragonal FeF5O cluster in KMgF3:Fe3+ c
Study on the local structure of (CrO6)9- complex in garnet crystals by optical and EPR spectrum
Theoretical study of local lattice structure of (FeOF5) 4- cluster in diamagnetic pervoskite RbCdF3
Local lattice structure study of the octahedral (CrO6) 9- clusters for Cr3+ ion doping in a variety
Characterization of the high-pressure structural transition and thermodynamic properties in sodium c
Investigation of the EPR and local defect structures for (FeO6)9- and (MnO6)10- clusters in TiO2 cry
Effect of temperature on the local angular thermal expansion and local structure for nickel-doped zi
Entanglement Evolution of Two-Coupled Spins in a Time-Dependent Rotating Magnetic Field
Optical spectrum, local lattice structure and EPR g factors for Cr3+ impurity ions in MgTiO3 and LiT
Local defect structures and EPR studies on (FeO6)9- and (FeO4)5- clusters in YGG: Fe3+ system
Theoretical study of spin-singlet contributions to zero-field splitting of a 3d6 ion in a trigonal l
Effect on the EPR and local lattice structure distortion of V3+ ion doping corundum crystal: Three m
Homotrinuclear spin cluster with orbital degeneracy in a magnetic field: Algebraic dynamic studies o
Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the
Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr3+ centres in
Local molecular structure and thermal expansion coefficient for octahedral Fe3+ center in AlF3:Fe3+s
Cs_2NaMF_6（M=Al,Ga）：Cr~（3＋）络合分子体系局域结构和基态分裂的理论研究
绿宝石晶体中（CrO6）^9-团簇局域极化现象的理论研究
Effect of local structure on electron paramagnetic resonance spectra for trigonal[Cr（H2O）6]^3＋ coordination complex in the sulfate alums series： a ligand field theory study
丝网印刷工艺制备铜铟镓硒（CIGS）薄膜
Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for （VCl6）4- coordination complex in MCl：V2＋ （M=Na, K, Rb） systems
Theoretical investigations of the local distortion and electron paramagnetic resonance parameter for CdCl2：V^2＋ and CsMgX3：V^2＋（X=Cl,Br） systems