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Developing novel controllable two-dimensional semiconductor materials is crucial to thin film spintronic devices, which may lead to a revolution of information devices. Recently, the easily cleavable CrTe3 has attracted much attention for studying the magnetic properties of two-dimensional materials. In this paper, we have demonstrated theoretically that an elastic tensile strain can turn the antiferromagnetic coupled single-layer CrTe3 (SL-CrTe3) into a ferromagnetic (FM) system, favoring its potential application in thin film spintronic devices. The FM SL-CrTe3 undergoes a further transition from a semiconductor to a metal under a biaxial tensile strain of 9%. The kinetic stability of SL-CrTe3 under 10% tensile strain is verified by a molecular dynamics simulation at room temperature. We suppose that the strain-dependent magnetic behaviors of SL-CrTe3 resulted from the competition between superexchange and direct interactions. The tunable magnetic and electronic properties of SL-CrTe3 imply immense potential in spintronic device applications. [ABSTRACT FROM AUTHOR]

The antiferromagnetic-semiconductor extreme tensile strain (8%) states of La 0.7 Ca 0.3 MnO 3 membranes was achieved by Hong et al. (2020) [23]. To understand such tunable magnetic and electronic properties in these La 2 3 M 1 3 MnO 3 (M=Ca, Sr) systems, we have investigated the magnetic and electronic behaviors of La 2 3 M 1 3 MnO 3 (M=Ca, Sr) under strain and charge doping using first-principles calculations. A ferromagnetic-semiconductor phase is predicted for La 2 3 Sr 1 3 MnO 3 beyond 4% biaxial tensile strain. Meanwhile, its energy gap and magnetic anisotropic energy increase as the strain increases. We also discover that the change of magnetic exchange energy in La 2 3 Ca 1 3 MnO 3 under charge doping is in analogy to the scenario directly changing the Ca concentrations. Based on the magnetic competition analysis, it is expected that the carrier concentration and strains dominate the magnetic ground state while the La/Ca distributions have little impact. The highly tunable magnetic-electronic properties offer opportunities for the future magnetic-electronic materials design and applications. • DFT SCAN calculations give excellent structure and magnetic moments of the studied systems. • A ferromagnetic semiconductor is predicted for La 2/3 Sr 1/3 MnO 3 under biaxial tensile strain. • Carrier concentration combined with strains dominate the magnetic coupling. • Magnetic anisotropic energy is enhanced by 30 μeV by strains for La 2/3 Sr 1/3 MnO 3. [ABSTRACT FROM AUTHOR]