Room-temperature ferromagnetism in Cr-doped Si achieved by controlling atomic structure, Cr concentration, and carrier densities: A first-principles study

Journal Article · Tue Apr 28 00:00:00 EDT 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4919430· OSTI ID:22402923

Wei, Xin-Yuan; Yang, Zhong-Qin ^[1]; Zhu, Yan ^[2]; Li, Yun ^[3]

---

1. State Key Laboratory of Surface Physics, Key Laboratory for Computational Physical Sciences (MOE), and Department of Physics, Fudan University, Shanghai 200433 (China)
2. College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 211100 (China)
3. Department of Physics and Electronic Engineering, Hanshan Normal University, Chaozhou 521041 (China)

By using first-principles calculations, we investigated how to achieve a strong ferromagnetism in Cr-doped Si by controlling the atomic structure and Cr concentration as well as carrier densities. We found that the configuration in which the Cr atom occupies the tetrahedral interstitial site can exist stably and the Cr atom has a large magnetic moment. Using this doping configuration, room-temperature ferromagnetism can be achieved in both n-type and p-type Si by tuning Cr concentration and carrier densities. The results indicate that the carrier density plays a crucial role in realizing strong ferromagnetism in diluted magnetic semiconductors.

• OSTI ID: 22402923
• Journal Information: Journal of Applied Physics, Vol. 117, Issue 16; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ATOMS
CARRIER DENSITY
CHROMIUM
CONCENTRATION RATIO
DOPED MATERIALS
ELECTRONIC STRUCTURE
FERROMAGNETISM
MAGNETIC MOMENTS
MAGNETIC SEMICONDUCTORS
N-TYPE CONDUCTORS
P-TYPE CONDUCTORS
SILICON
TEMPERATURE RANGE 0273-0400 K