[HTML][HTML] Review of transition-metal diboride thin films
We review the thin film growth, chemistry, and physical properties of Group 4–6 transition-
metal diboride (TMB 2) thin films with AlB 2-type crystal structure (Strukturbericht designation …
metal diboride (TMB 2) thin films with AlB 2-type crystal structure (Strukturbericht designation …
Graphene-like two-dimensional ionic boron with double dirac cones at ambient condition
Recently, partially ionic boron (γ-B28) has been predicted and observed in pure boron, in
bulk phase and controlled by pressure [Nature 2009, 457, 863]. By using ab initio …
bulk phase and controlled by pressure [Nature 2009, 457, 863]. By using ab initio …
Phonon-mediated superconductivity in compounds: a crystal prediction via cluster expansion and particle-swarm optimization
Investigating superconductivity represents one of the most significant phenomena in the field
of condensed matter physics. Our simulations aim to elucidate the structures in the metallic …
of condensed matter physics. Our simulations aim to elucidate the structures in the metallic …
High-throughput screening of strong electron–phonon couplings in ternary metal diborides
We perform a high-throughput screening on phonon-mediated superconductivity in a ternary
metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground …
metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground …
Metal Borides: From Industrial Classics to Versatile Colloidal Nanocrystals for Energy, Catalysis, and Hard Coatings Applications
J Hong, S Mutalik, PP Pescarmona… - Chemistry of …, 2024 - ACS Publications
Metal boride (M x B y) nanocrystals (NCs) represent a cutting-edge and promising materials
class that has gained significant attention in nanotechnology and materials science. The …
class that has gained significant attention in nanotechnology and materials science. The …
Superlattices, Bonding-Antibonding, Fermi Surface Nesting, and Superconductivity
Raman and synchrotron THz absorption spectral measurements on MgB2 provide
experimental evidence for electron orbital superlattices. In earlier work, we have detected …
experimental evidence for electron orbital superlattices. In earlier work, we have detected …
[HTML][HTML] Phonon dispersion anomalies and superconductivity in metal substituted MgB2
We have calculated the extent of the E 2g phonon anomaly for Mg 1− x M x B 2 where M=
Sc, Ti, Cd and Ba for 0< x< 1 using ab initio DFT models with the LDA and GGA functionals …
Sc, Ti, Cd and Ba for 0< x< 1 using ab initio DFT models with the LDA and GGA functionals …
Prediction of Structural and Electronic Properties of Doped Compounds Ca0.75X0.25B2 (X = Fe, Cd, K) Using Density Functional Theory
In this work we examine the effect of electron do** (through partial substitution of Ca by Fe
or Cd) and hole do** (through partial substitution of Ca by K) on the electronic structure of …
or Cd) and hole do** (through partial substitution of Ca by K) on the electronic structure of …
AlB2 and MgB2: a comparative study of their electronic, phonon and superconductivity properties via first principles
C Cheng, MY Duan, Z Wang, XL Zhou - Philosophical Magazine, 2020 - Taylor & Francis
Recently, the AlB2-type compounds (such as AlB2 and MgB2) which exhibit Dirac Nodal
Line (DNLs) semimetal on their electronic band structure and Phononic Weyl Nodal Straight …
Line (DNLs) semimetal on their electronic band structure and Phononic Weyl Nodal Straight …
[HTML][HTML] Theoretical investigation of mixing and clustering thermodynamics of Ti1− xAlxB2 alloys with potential for age-hardening
Metastable ternary ceramic alloys with clustering tendencies are candidates for hard coating
applications. In this work, mixing thermodynamics and structural parameters of ceramic Ti 1 …
applications. In this work, mixing thermodynamics and structural parameters of ceramic Ti 1 …