Communications in Theoretical Physics ›› 2021, Vol. 73 ›› Issue (12): 125702. doi: 10.1088/1572-9494/ac27a3
• Condensed Matter Theory • Previous Articles Next Articles
T El-Achari1,2,(),F Goumrhar1,2,3,4,(),L B Drissi1,2,5,M Drissi El Bouzaidi1,2,6,R Ahl Laamara1,2
Received:
2021-08-07
Revised:
2021-09-13
Accepted:
2021-09-17
Published:
2021-12-01
Contact:
F Goumrhar
E-mail:tarik_elachari@um5.ac.ma;faycal.goumrhar@gmail.com
T El-Achari,F Goumrhar,L B Drissi,M Drissi El Bouzaidi,R Ahl Laamara, Commun. Theor. Phys. 73 (2021) 125702.
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Table 1.
Crystal field and exchange splitting for V- and Cr-doped AlN as a function of the concentrations."
Materials (Al1−xTMX)N | ΔECR(eV) | ΔEEX (eV) |
---|---|---|
(Al0.98V0.02)N | 0.86 | 1.19 |
(Al0.92V0.08N | 1.19 | 1.19 |
(Al0.90V0.10)N | 1.20 | 1.20 |
(Al0.84V0.16)N | 1.53 | 1.19 |
(Al0.80V0.20)N | 1.70 | 1.18 |
(Al0.75V0.25)N | 1.89 | 1.20 |
(Al0.98Cr0.02)N | 1.03 | 1.70 |
(Al0.92Cr0.08)N | 1.19 | 1.70 |
(Al0.90Cr0.10)N | 1.36 | 1.87 |
(Al0.84Cr0.16)N | 1.53 | 2.04 |
(Al0.80Cr0.20)N | 1.53 | 2.04 |
(Al0.75Cr0.25)N | 1.70 | 2.04 |
Table 2.
Local moments for V- and Cr-doped AlN, the total energy differences, and formation energy as a function of concentrations."
Materials (Al1−xTMXN | TM moment $\left({\mu }_{B}/\mathrm{atom}\right)$ | Al moment $\left({\mu }_{B}/\mathrm{atom}\right)$ | N moment $\left({\mu }_{B}/\mathrm{atom}\right)$ | ΔE (meV) | EFor (eV) |
---|---|---|---|---|---|
(Al0.98V0.02)N | 1.35 | 0.00069 | −0.00027 | 0.31 | −5.81 |
(Al0.92V0.08)N | 1.33 | 0.00274 | −0.00229 | 5.09 | −5.27 |
(Al0.90V0.10)N | 1.32 | 0.00337 | −0.00313 | 7.00 | −5.01 |
(Al0.84V0.16N | 1.31 | 0.00503 | −0.00599 | 11.03 | −4.56 |
(Al0.80V0.20)N | 1.28 | 0.00575 | −0.00787 | 11.99 | −4.20 |
(Al0.75V0.25)N | 1.20 | 0.00610 | −0.01009 | 11.74 | −3.77 |
(Al0.98Cr0.02)N | 2.16 | 0.00088 | 0.00072 | 1.30 | −5.82 |
(Al0.92Cr0.08)N | 2.16 | 0.00332 | 0.00195 | 5.49 | −5.29 |
(Al0.90Cr0.10N | 2.17 | 0.00408 | 0.00215 | 6.69 | −5.11 |
(Al0.84Cr0.16N | 2.17 | 0.00620 | 0.00203 | 9.00 | −4.57 |
(Al0.80Cr0.20N | 2.17 | 0.00748 | 0.00132 | 9.30 | −4.21 |
(Al0.75Cr0.25N | 2.11 | 0.00854 | −0.00058 | 9.37 | −3.75 |
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