Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …

Carbon atoms in the graphitic carbon skeleton can be replaced by heteroatoms with different
electronegative from that of the carbon atom (ie, heteroatom doping) to modulate the charge …

We introduce a technique based on the spatial localization of electron and phonon Wannier
functions to perform first-principles calculations of the electron-phonon interaction with an …

EPW (Electron–Phonon coupling using Wannier functions) is a program written in Fortran90
for calculating the electron–phonon coupling in periodic systems using density-functional …

We calculate from first principles the temperature-dependent renormalization of the direct
band gap of diamond arising from electron-phonon interactions. The calculated temperature …

We predict by first-principles calculations that p-doped graphane is an electron-phonon
superconductor with a critical temperature above the boiling point of liquid nitrogen. The …

Although the local resistivity of semiconducting silicon in its standard crystalline form can be
changed by many orders of magnitude by doping with elements, superconductivity has so …

Diamond is a prototypical ultrawide band gap semiconductor, but turns into a
superconductor with a critical temperature T c≈ 4 K near 3% boron doping [EA Ekimov et …

We use ab initio evolutionary algorithm and first-principles calculations to investigate
structural, electronic, vibrational, and superconducting properties of two-dimensional (2 D) …

The physical properties of lightly doped semiconductors are well described by electronic
band-structure calculations and impurity energy levels. Such properties form the basis of …