Arrangement in La1/3NbO3 Obtained by First-Principles Density Functional Theory with Cluster Expansion and Monte Carlo Simulation-Reference-Cited by-同舟云学术

Arrangement in La1/3NbO3 Obtained by First-Principles Density Functional Theory with Cluster Expansion and Monte Carlo Simulation

Author:

Yang Zijian¹^ORCID,Ward Robyn E.²,Tanibata Naoto¹³^ORCID,Takeda Hayami¹³,Nakayama Masanobu¹²³⁴^ORCID,Asaka Toru¹⁴

Affiliation:

1. Department of Advanced Ceramics, Nagoya Institute of Technology, Gokiso, Showa, Nagoya, Aichi 466-8555, Japan

2. MaDIS/CMI2, National Institute for Materials Science (NIMS), 1-2-1, Sengen, Tsukuba, Ibaraki 305-0047, Japan

3. Unit of Elements Strategy Initiative for Catalysts & Batteries (ESICB), Kyoto University, Katsura, Saikyo-ku, Kyoto 615-8520, Japan

4. Frontier Research Institute for Materials Science (FRIMS), Nagoya Institute of Technology, Gokiso, Showa, Nagoya, Aichi 466-8555, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

Reference34 articles.

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