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Electronic structure beyond the generalized gradient approximation for ${\mathrm{Ni}}_{2}\mathrm{MnGa}$

Baigutlin, D. R. ; Sokolovskiy, V. V. ; Miroshkina, O. N. ; Zagrebin, M. A. ; Nokelainen, J. ; Pulkkinen, Aki ; Barbiellini, B. ; Pussi, K. ; Lähderanta, E. ; Buchelnikov, V. D. ; Zayak, A. T.

In: Physical Review B, 2020, vol. 102, no. 4, p. 045127

The stability of the nonmodulated martensitic phase, the austenitic Fermi surface, and the phonon dispersion relations for ferromagnetic Ni2MnGa are studied using density functional theory. Exchange-correlation effects are considered with various degrees of precision, starting from the simplest local spin density approximation (LSDA), then adding corrections within the generalized gradient...

Examining the surface phase diagram of ${\mathrm{IrTe}}_{2}$ with photoemission

Rumo, Maxime ; Nicholson, Christopher W. ; Pulkkinen, Aki ; Hildebrand, Baptiste ; Kremer, Geoffroy ; Salzmann, Björn ; Mottas, Marie-Laure ; Ma, K. Y. ; Wong, E. L. ; Man, M. K. L. ; Dani, K. M. ; Barbiellini, B. ; Muntwiler, Matthias ; Jaouen, Thomas ; Rohr, F. O. von ; Monney, Claude

In: Physical Review B, 2020, vol. 101, no. 23, p. 235120

In the transition metal dichalcogenide IrTe2, low-temperature charge-ordered phase transitions involving Ir dimers lead to the occurrence of stripe phases of different periodicities, and nearly degenerate energies. Bulk-sensitive measurements have shown that, upon cooling, IrTe2 undergoes two such first-order transitions to (5×1×5) and (8×1×8) reconstructed phases at Tc1∼280 K and...

Effects of Excess or Deficiency of Oxygen Content on the Electronic Structure of High- T c Cuprates

Jarlborg, T. ; Bianconi, A. ; Barbiellini, B. ; Markiewicz, R. ; Bansil, A.

In: Journal of Superconductivity and Novel Magnetism, 2013, vol. 26, no. 8, p. 2597-2601