Electric field gradients in MgB2 synthesized at high pressure: 111Cd TDPAC study and ab initio calculation
A. V. Tsvyashchenko, L. N. Fomicheva, M. V. Magnitskaya, E. N. Shirani, V. B. Brudanin, D. V. Filossofov, O. I. Kochetov, N. A. Lebedev, A. F. Novgorodov, A. V. Salamatin, N. A. Korolev, A. I. Velichkov, V. V. Timkin, A. P. Menushenkov, A. V. Kuznetsov, V. M. Shabanov, Z. Z. Akselrod
Abstract
We report the high-pressure synthesis of novel superconductor MgB2 and some related compounds. The superconducting transition temperature of our samples of MgB2 is equal to 36.6 K. The MgB2 lattice parameters determined via X-ray diffraction are in excellent agreement with results of our ab initio calculations. The time-differential perturbed angular correlation (TDPAC) experiments demonstrate a small increase in quadrupole frequency of 111Cd probe with decreasing temperature from 293 to 4.2 K. The electric field gradient (EFG) at the B site calculated from first principles is in fair agreement with EFG obtained from 11B NMR spectra of MgB2 reported in the literature. It is also very close to EFG found in our 111Cd TDPAC measurements, which suggests that the 111Cd probe substitutes for boron in the MgB2 lattice.
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