First-Principles Study on the Magnetoelectric and Optical Properties of Novel Magnetic Semiconductor Li(Mg, Cr)P With Decoupled Spin and Charge Doping.
Chen T, Wu N, Li Y, Cui Y, Ding S, Wu Z.
Chen T, et al. Among authors: li y.
Front Chem. 2020 Oct 8;8:594411. doi: 10.3389/fchem.2020.594411. eCollection 2020.
Front Chem. 2020.
PMID: 33134285
Free PMC article.
The electronic structures, magnetic and optical properties of Li(1y) (Mg(1-x) Cr (x) ) P (x, y = 0.125) are calculated by using the first principles method based on density functional theory. ...Li(Mg(0.875)Cr(0.125))P becomes half-metallic ferromagnetism. Th …
The electronic structures, magnetic and optical properties of Li(1y) (Mg(1-x) Cr (x) ) P (x, y = 0.125) are calculated by usin …