Erratum: Understanding the intrinsic P-type behavior and phase stability of thermoelectric α-Mg3Sb2 (ACS Applied Energy Materials (2018) 1:11 (6600-6608) DOI: 10.1021/acsaem.8b01520)

Xiao Yu Chong, Pin Wen Guan, Yi Wang, Shun Li Shang, Jorge Paz Soldan Palma, Fivos Drymiotis, Vilupanur A. Ravi, Kurt E. Star, Jean Pierre Fleurial, Zi Kui Liu

Research output: Contribution to journalComment/debate


Gorai and Stevanovic1 are correct regarding the band gap calculations using VASP. We started the first-principles calculations for a-Mg3Sb2 using the code CASTEP2 and ultrasoft pseudopotentials (USPPs)-PBE as reported in Figure 2 in our paper.3 It is our oversight for the mixture of two sets of calculations using VASP and CASTEP, respectively, for which we apologize.

Original languageEnglish (US)
JournalACS Applied Energy Materials
StateAccepted/In press - Jan 1 2020


All Science Journal Classification (ASJC) codes

  • Chemical Engineering (miscellaneous)
  • Energy Engineering and Power Technology
  • Electrochemistry
  • Materials Chemistry
  • Electrical and Electronic Engineering

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