On Theoretical Study of Magnetic Behavior of Diamond Doped with Transition Metals |
| F. Hussaina, M. Ullah a, H. Ullah b, M. Rashid c, M. Imran a and E. Ahmad a
aMaterials Simulation Research Laboratory (MSRL), Department of Physics, Bahauddin Zakariya University, University Campus Bosan Road, 60800 Multan, Pakistan bLaser and Optronics Laboratory (LOL), Department of Physics, Bahauddin Zakariya University, University Campus Bosan Road, 60800 Multan, Pakistan cDepartment of Physics, COMSATS Institute of Information Technology, 44000 Islamabad, Pakistan |
| Received: July 18, 2014; In final form: January 15, 2015 |
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| We study the magnetic behavior of the diamond system. In this system diamond bulk is involved which is doped with different transition metals, namely Cu, Cd, Hg, and Zn. The VASP code is employed for all calculations which are based on density functional theory. The substitutional point defects is introduced in the diamond bulk and occupied by the transition metals. Results exhibit that all transition metals show ferromagnetism behavior and Cu is a good advocate of conductivity among all transition metals. The range of magnetic moments is 2.89, 1.99, 1.96, and 1.80 μB per Cu, Cd, Hg, and Zn atom in diamond bulk, respectively. Strong magnetic behavior points out that these materials could be used for spintronics. |
DOI: 10.12693/APhysPolA.127.823 PACS numbers: 75.10.Kt, 75.10.Pq, 75.30.Hx |