Tuning the Magnetic Exchange via a Control of Orbital Hybridization in ${\mathrm{Cr}}_2\left({\mathrm{Te}}_{1-x}{\mathrm{W}}_x\right){\mathrm{O}}_6$

Journal Article · Tue Aug 12 00:00:00 EDT 2014 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.113.076406· OSTI ID:1370354

Zhu, M.; Do, D.; Dela Cruz, C. R.; Dun, Z.; Zhou, H. D.; Mahanti, S. D.; Ke, X.

Here, we report the complex magnetic phase diagram and electronic structure of Cr₂ ( Te_1-xW_x) O₆ systems. While compounds with different x values possess the same crystal structure, they display different magnetic structures below and above x_c = 0.7 , where both the transition temperature T_N and sublattice magnetization (M_s) reach a minimum. Unlike many known cases where magnetic interactions are controlled either by injection of charge carriers or by structural distortion induced via chemical doping, in the present case it is achieved by tuning the orbital hybridization between Cr 3d and O 2p orbitals through W 5d states. The result is supported by ab initio electronic structure calculations. Through this concept, we introduce a new approach to tune magnetic and electronic properties via chemical doping.

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Revolutionary Materials for Solid State Energy Conversion (RMSSEC)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0001054
• OSTI ID: 1370354
• Journal Information: Physical Review Letters, Vol. 113, Issue 7; Related Information: RMSSEC partners with Michigan State University (lead); University of California, Los Angeles; University of Michigan; Northwestern University; Oak Ridge National Laboratory; Ohio State University; Wayne State University; ISSN 0031-9007
• Publisher: American Physical Society (APS)
• Country of Publication: United States
• Language: English