Electronic structure articles within Nature

Featured

  • Article |

    Aluminium- and gallium-doped iron compounds show a large anomalous Nernst effect owing to a topological electronic structure, and their films are potentially suitable for designing low-cost, flexible microelectronic thermoelectric generators.

    • Akito Sakai
    • , Susumu Minami
    •  & Satoru Nakatsuji

  • Article |

    Topological materials are thought to be scarce, but an algorithm that diagnoses nontrivial topology in nonmagnetic materials finds the opposite: more than 30 per cent of the 26,688 materials studied are topological.

    • Tiantian Zhang
    • , Yi Jiang
    •  & Chen Fang

  • Letter |

    The lowest-energy exciton state in caesium lead halide perovskite nanocrystals is shown to be a bright triplet state, contrary to expectations that lowest-energy excitons should always be dark.

    • Michael A. Becker
    • , Roman Vaxenburg
    •  & Alexander L. Efros

  • Letter |

    Ab initio calculations are used to determine the contribution of quantum fluctuations to the crystal structure of the high-pressure superconducting phase of H3S and D3S; the quantum nature of the proton is found to fundamentally change the superconducting phase diagram of H3S.

    • Ion Errea
    • , Matteo Calandra
    •  & Francesco Mauri

  • Letter |

    Quantum mechanical calculations reveal a surprising strain-stiffening phenomenon in two crystalline solids, one of which is cementite, a precipitate found in carbon steels.

    • Chao Jiang
    •  & Srivilliputhur G. Srinivasan

  • Article |

    Recent developments that reduce the computational cost and scaling of wavefunction-based quantum-chemical techniques open the way to the successful application of such techniques to a variety of real-world solids.

    • George H. Booth
    • , Andreas Grüneis
    •  & Ali Alavi

  • Letter |

    An exotic two-dimensional electron gas (2DEG) forms at oxide interfaces based on SrTiO3, but the precise nature of the 2DEG has remained elusive. In a systematic study using angle-resolved photoemission spectroscopy (ARPES), new insights into the electronic structure of the 2DEG are obtained. The findings shed light on previous observations in SrTiO3-based heterostructures and suggest that different forms of electron confinement at the surface of SrTiO3 lead to essentially the same 2DEG.

    • A. F. Santander-Syro
    • , O. Copie
    •  & M. J. Rozenberg

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