Band structure and properties of superconducting MgB2 and related compounds (A review)

  title={Band structure and properties of superconducting MgB2 and related compounds (A review)},
  author={Alexander L. Ivanovskii},
  journal={Physics of the Solid State},
  • A. L. Ivanovskii
  • Published 1 October 2003
  • Physics, Materials Science
  • Physics of the Solid State
This paper presents an overview of the current state of the art in research into the electronic structure and properties of a new superconductor, namely, MgB2, and a large number of related compounds by computational methods of the band theory. Consideration is given to the specific features of the surface states of magnesium diboride, the electron and hole doping effects in this compound, and the concentration dependences of the band structure and the properties of Mg1−xMexB2 and MgB2−yXy… 
Electronic band structure and stability of fluorite-like phases in the Mg-Sn-B system
Self-consistent FLMTO-GGA calculations are used to analyze the electronic states and energy bands in cubic fluorite-like (Mg2Sn, “Mg2B,” Mg2SnBx) and hexagonal (MgB2) phases of the Mg-Sn-B system.
MgB2-Based Superconductors: Structure and Properties
A brief review of synthesis methods of MgB2 and the effect of alloying and thermomechanical treatment on the structure and properties of MgB2 is presented. The review observes the production methods
Crystalline structure and the superconducting properties of NbB2+x
The effect of boron excess in the structure and superconducting properties of NbB2 is reported. Rietveld refinements of the x-ray diffraction patterns indicate that boron excess induces significant
Assessing structural bonding aspects of multiband superconductors through impurity‐induced local lattice distortions: A case study on MgB2
To examine how a change in the host cation affects the structural and bonding properties of the local ionic environment, we have performed a series of ab initio simulations of substitutional
Ab initio Probing of Magnetic and Electronic Properties of Monoclinic ε-WO3 Doped with 3d Transition Metals Within GGA and GGA+U
Based on ab initio band structure calculations, we have systematically examined the monoclinic tungsten trioxide doped with all 3d metals (M=Sc,Ti,…,Ni,Cu) focusing on the effects of these impurities
Superconductivity of MgB2 in the BCS framework with emphasis on extrinsic effects on critical temperature
The discovery of superconductivity in MgB2 with an unusually high TC of 39?K interested material scientists all over the world. Many of its superconducting properties, including an experimentally


Superconducting MgB2 and related compounds: synthesis, properties and electronic structure
The discovery of superconductivity in magnesium diboride Tc∽40 K), announced in January 2001, stimulated intensive research into the nature of superconductivity and electrophysical, magnetic and
The Electronic Band Structures of Superconducting MgB2 and Related Borides CaB2, MgB6 and CaB6
Introduction The discovery of superconductivity for magnesium diboride in January 2001 [1] may become an important stage in the development of superconductivity theory. As distinct from HTSC, MgB2
Electronic structure of the new MgCNi3 superconductor and related intermetallic compounds
The band structure of the new perovskite-like MgCNi3 superconductor is studied by the self-consistent FP-LMTO method. The superconducting properties of MgCNi3 are associated with the occurrence of an
Loss of superconductivity with the addition of Al to MgB2 and a structural transition in Mg1-x AlxB2
It is shown that the addition of electrons to MgB2, through partial substitution of Al for Mg, results in the loss of superconductivity, reflected in the partial collapse of the spacing between boron layers near an Al content of 10 per cent.
A first-principles study of MgB2: the effect of pressure and substitution
We performed a first-principles calculation of the electronic band structure of MgB2, a superconductor discovered recently, by employing a full-potential linear muffin-tin orbital method. In advance,
Detailed electronic structure studies on superconducting MgB 2 and related compounds
Our recent electronic structure studies on series of transition metal diborides indicated that the electron phonon coupling constant is much smaller in these materials than in superconducting
Electronic and structural properties of superconductingMgB2,CaSi2,and related compounds
We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and
Role of boron p-electrons and holes in superconducting MgB2, and other diborides: a fully relaxed, full-potential electronic structure study.
The results clearly show the importance of B p-band for superconductivity and show that around E(F), the charge density in MgB, BeB, and NaB (2) is planar and is associated with the B plane.
Superconductivity in the non-oxide perovskite MgCNi3
The high relative proportion of Ni in MgCNi3 suggests that magnetic interactions are important, and the lower Tc of this three-dimensional compound—when compared to the LnNi2B2C family—contrasts with conventional ideas regarding the origins of superconductivity.