| Autor: |
Nazir S; Department of Physics, University of Sargodha, 40100 Sargodha, Pakistan. safdar.nazir@uos.edu.pk., Cheng Y; Key Laboratory of Flexible Electronics and Institute of Advanced Materials, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, 30 South Puzhu Road, Nanjing 211816, China. |
| Jazyk: |
angličtina |
| Zdroj: |
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2022 Dec 21; Vol. 25 (1), pp. 838-846. Date of Electronic Publication: 2022 Dec 21. |
| DOI: |
10.1039/d2cp04548f |
| Abstrakt: |
Double perovskite oxides (DPO) with antiferromagnetic ground state have received much consideration as they exhibit small stray-field and ultra-fast spin dynamics, which is extremely convenient for high-density and high-frequency data storage devices. It is a well-established fact that strain can easily tune the physical properties of the materials; therefore, the electronic and magnetic properties of recently synthesized ordered ALaCuOsO 6 (A = Ba and Sr) DPO under biaxial ([110]) strain are investigated using ab initio calculations. Our results revealed that the unstrained systems exhibit semiconducting states having energy band gaps ( E g ) of 0.28 and 0.39 eV for A = Ba and Sr, respectively. Along with this, both structures exhibit AFM ground state due to a strong AFM coupling between partially filled high-energy Cu + e1g↑ and low-energy empty Os +5 t02g↓ orbitals. The calculated partial spin moments of Cu and Os ions are 0.65/0.66 and 1.58/1.60 μ B in a Ba-/Sr-doped system having electronic configurations of 3d 9 (t32g↑t32g↓e2g↑e1g↓) with S = 0.5 and 5d 3 (t32g↑) with S = 1.5, respectively. The robustness of AFM spin ordering is affirmed under the strain effects. The most striking feature of the present study is that Ba- and Sr-doped systems demonstrate an electronic transition from semiconductor to metal at critical tensile strains of +4% and +5% along with improved magnetism as well as Néel temperature, respectively. However, the magnetic ground state remains robust against applied strains in both cases. Hence, the present study shows that strain engineering could be a practical tool to modulate the electronic and magnetic properties of DPO to further enhance their technological applications in spintronics. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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