Semiconducting Cubic Titanium Nitride in the Th3P4 Structure: Article No. 011602(R)

Stephan Lany, Venkata Bhadram, Hanyu Liu, Enshi Xu, Tianshu Li, Vitali Prakapenka, Rostislav Hrubiak, Timothy Strobel

Research output: Contribution to journalArticlepeer-review

26 Scopus Citations

Abstract

We report the discovery of a long-sought-after phase of titanium nitride with stoichiometry Ti3N4 using diamond anvil cell experiments combined with in situ high-resolution x-ray diffraction and Raman spectroscopy techniques, supported by ab initio calculations.
Original languageAmerican English
Number of pages5
JournalPhysical Review Materials
Volume2
Issue number1
DOIs
StatePublished - 2018

NREL Publication Number

  • NREL/JA-5K00-70919

Keywords

  • first-principles
  • Monte-Carlo
  • photovoltaics

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