Ab initio investigation of elastic constants of superconducting MgB2
The five different elastic constants of the new superconducting MgB2 are calculated by ab
initio method using a density functional theory Hamiltonian with both correlation and …
initio method using a density functional theory Hamiltonian with both correlation and …
Electronic structure and electric field gradient in MgB2 under pressure: an ab initio study
We report here ab initio density functional theory study of the electronic band structure and
electric field gradient (EFG) in MgB 2 under pressure. The band structure calculations are in …
electric field gradient (EFG) in MgB 2 under pressure. The band structure calculations are in …
Mechanical behaviour of AgB2 in comparison to MgB2––a first principle study
The mechanical behaviour of the noble metal diboride AgB2, a hole doped system and a
potential candidate for superconductor, is studied as a function of pressure in comparison to …
potential candidate for superconductor, is studied as a function of pressure in comparison to …
AuB2 in comparison to superconducting MgB2-an ab initio study
The noble metal diboride AuB2, a potential candidate for superconductor, is studied by an
ab initio method in comparison to the superconducting MgB2. The results, described in …
ab initio method in comparison to the superconducting MgB2. The results, described in …