All Stories

  1. Magnetic and electronic properties of Cr2Ge2Te6 monolayer by strain and electric-field engineering
  2. Magnetism of sodium superoxide
  3. Origin of multiferroicity in MnWO 4
  4. Ni6Cr5MoO18: A compensated half metal predicted from first-principles
  5. Magnetic structure of the noncentrosymmetric perovskites PbVO 3 and BiCoO 3 : Theoretical analysis
  6. Spin-spiral inhomogeneity as the origin of ferroelectric activity in orthorhombic manganites
  7. Modeling of complex oxide materials from the first principles: systematic applications to vanadates RVO3 with distorted perovskite structure
  8. Realistic modeling of complex oxide materials
  9. Defects of the crystal structure and Jahn-Teller distortion in BiMnO 3
  10. Magnetic-field control of the electric polarization in BiMnO 3
  11. Cluster size dependence of double ionization energy spectra of spin-polarized aluminum and sodium clusters: All-electron spin-polarizedGW+T-matrix method
  12. Magnetic ground state and multiferroicity in BiMnO3
  13. Long-Range Magnetic Interactions Induced by the Lattice Distortions and the Origin of the E-Type Antiferromagnetic Phase in the Undoped Orthorhombic Manganites
  14. Realistic Modeling of Complex Oxide Materials from the First Principles
  15. Orbital ordering and magnetic interactions in BiMnO3
  16. First principlesT-matrix calculations for Auger spectra of hydrocarbon systems
  17. Spin–orbital superexchange physics emerging from interacting oxygen molecules in KO2
  18. Correlation energies in distorted 3d-t 2g perovskite oxides
  19. Construction of Wannier functions from localized atomiclike orbitals
  20. Lattice distortion and magnetism of 3 d − t 2 g perovskite oxides
  21. First-principles Wannier functions and effective lattice fermion models for narrow-band compounds
  22. Orbital Polarization in Itinerant Magnets
  23. Electronic Structure of Strongly Correlated Systems Emerging from Combining Path-Integral Renormalization Group with the Density-Functional Approach
  24. Screening of Coulomb interactions in transition metals
  25. Lattice distortion and magnetic ground state of YTiO 3 and LaTiO 3
  26. Charge Ordering due to Magnetic Symmetry Breaking
  27. Nonlocal coherent potential approximation for the paramagnetic state of the degenerate double-exchange model
  28. Orbital Degeneracy and Magnetism of Perovskite Manganese Oxides
  29. Electronic structure and stability of the ferrimagnetic ordering in double perovskites
  30. Double-exchange model for bilayered manganites
  31. Spin canting in three-dimensional perovskite manganites
  32. Ferromagnetic zigzag chains and properties of the charge-ordered perovskite manganites
  33. Phase Diagram of Tetragonal Manganites
  34. Magnetic Spin Origin of the Charge-Ordered Phase in Manganites
  35. Optimized effective potential for the extended Hubbard model
  36. Zone Boundary Softening of the Spin-Wave Dispersion in Doped Ferromagnetic Manganites
  37. First-principles study on electronic structures and phase stability of MnO and FeO under high pressure
  38. Present Status of the First-Principles Electronic Structure Calculations for the Strongly Correlated Transition-Metal Oxides
  39. Is Hund's Second Rule Responsible for the Orbital Magnetism in Solids?
  40. Orbital magnetism in FeO
  41. Electronic band structure and lattice distortion in perovskite transition-metal oxides
  42. Non-collinear magnetism in distorted perovskite compounds
  43. Magneto-optical effect in the weak ferromagnets LaMO 3 (M= Cr, Mn, and Fe)
  44. Crucial Role of the Lattice Distortion in the Magnetism of LaMnO 3
  45. t 2 g versus all 3 d localization in La M O 3 perovskites ( M =Ti–Cu): First-principles study
  46. Ab initio calculations of Coulomb U parameters for transition-metal impurities
  47. Density-functional theory and NiO photoemission spectra