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中国物理学会期刊

外加电场和B/N掺杂对锡烯带隙的影响

CSTR: 32037.14.aps.73.20231935

Influcence of external electric field and B/N doping on the band gap of stanene

CSTR: 32037.14.aps.73.20231935
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  • 锡烯具有超高载流子密度、无质量狄拉克费米子和高导热性等优良性质, 并且存在能带反转现象, 被认为是拓扑绝缘体, 拓扑绝缘体在一定条件下可以获得无耗散电流, 具有极高的应用潜力. 由于锡烯在布里渊区高对称点K处的能带存在狄拉克锥, 带隙为零, 大大限制了锡烯在半导体领域的应用. 本文采用在锡烯中掺杂B/N元素和在垂直于锡烯平面方向施加电场的方法来打开锡烯在K点处的带隙, 并研究掺杂和施加电场强度对锡烯结构和电子性质的变化. 研究发现施加掺杂B元素和垂直电场都能在保留锡烯拓扑性质的同时打开K点处的带隙, 并且施加的垂直电场强度与K点处带隙呈正相关. 在掺杂B元素的同时施加垂直电场可以增大K点处的带隙, 当电场强度为0.5 V/Å时, 带隙达到0.092 eV. 掺杂N元素后, 锡烯变为间接带隙半导体, 带隙为0.183 eV. 施加垂直电场不能改变N元素掺杂锡烯的结构, 施加的垂直电场强度与K点处带隙则呈负相关, 当电场强度为0.5 V/Å时, K点处带隙减小到0.153 eV.

     

    Stanene possesses excellent properties, including an extremely high charge carrier density, massless Dirac fermions, and high thermal conductivity. Moreover, it exhibits band inversion phenomena, being made a candidate for a topological insulator. Topological insulators can generate dissipationless electric currents under certain conditions, showing great application potentials. However, the presence of a Dirac cone in the band structure of stanene at the high-symmetry point K in the Brillouin zone, resulting in a zero band gap, significantly limits its applications in the semiconductor field. This study adopts the method of doping B/N elements in stanene and applying an electric field perpendicular to the stanene to open the band gap at the K point. The effects of doping and the intensity of the applied electric field on the structural and electronic properties of stanene are investigated. The results reveal that both doping B elements and applying a vertical electric field can open the band gap at the K point while preserving the topological properties of stanene. Additionally, there is a positive correlation between the applied vertical electric field intensity and the band gap at the K point. Simultaneously doping B elements and applying a vertical electric field can increase the band gap at the K point, reaching 0.092 eV when the electric field intensity is 0.5 V/Å. After doping N elements, stanene is transformed into an indirect band gap semiconductor with a band gap of 0.183 eV. Applying a vertical electric field cannot change the structure of N-doped stanene, and the intensity of the applied vertical electric field is negatively correlated with the band gap at the K point. When the electric field intensity is 0.5 V/Å, the band gap at the K point decreases to 0.153 eV.

     

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