Possible routes to superconductivity in the surface layers of V-doped Mg$_{1-δ}$Ti$_2$O$_4$ through multiple charge transfers and suppression of Jahn-Teller activity

Superconductivity in the family of spinel oxides is very rare owing to their robust Mott-insulating nature. About half a century ago, LiTi $_{2}$ O $_{4}$ became the first reported spinel compound to show superconductivity with a 12K transition temperature. Since then, several unsuccessful attempts were made to enhance the T $_{c}$ of this family of materials. However, a very recent experiment [arXiv:2209.02053] has reported superconductivity at a higher temperature (below 16K), in the V-doped Mg $_{1 - δ}$ Ti $_{2}$ O $_{4}$ thin surface layer while its bulk counterpart remains Mott insulating. The superconducting T $_{c}$ of this material is significantly higher compared to other engineered MgTi $_{2}$ O $_{4}$ thin films grown on different substrates. From our first-principles analysis, we have identified that Mg-depletion significantly reduces Jahn-Teller (JT) activity and antiferromagnetic superexchange at the surface layer of V-doped MgTi $_{2}$ O $_{4}$ due to considerable charge transfer between various ions. The combined effect of a degraded antiferromagnetic order and reduced JT activity weakens the Mottness of the system, leading to the emergence of superconductivity at higher temperatures.

Possible routes to superconductivity in the surface layers of V-doped Mg $_{1 - δ}$ Ti $_{2}$ O $_{4}$ through multiple charge transfers and suppression of Jahn-Teller activity

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Possible routes to superconductivity in the surface layers of V-doped Mg $_{1 - δ}$ Ti $_{2}$ O $_{4}$ through multiple charge transfers and suppression of Jahn-Teller activity

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Possible routes to superconductivity in the surface layers of V-doped Mg1−δ1−δ​Ti22​O44​ through multiple charge transfers and suppression of Jahn-Teller activity

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Possible routes to superconductivity in the surface layers of V-doped Mg1−δ1−δ​Ti22​O44​ through multiple charge transfers and suppression of Jahn-Teller activity

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Possible routes to superconductivity in the surface layers of V-doped Mg $_{1 - δ}$ Ti $_{2}$ O $_{4}$ through multiple charge transfers and suppression of Jahn-Teller activity

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Possible routes to superconductivity in the surface layers of V-doped Mg $_{1 - δ}$ Ti $_{2}$ O $_{4}$ through multiple charge transfers and suppression of Jahn-Teller activity

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