TiO $_2$ / VO $_2$纳米结构中量子限制产生的半金属semiDirac点
Half-metallic semiDirac point generated by quantum confinement in TiO$_2$/VO$_2$ nanostructures
摘要：
采用包含结构弛豫的第一性原理密度泛函方法研究了VO $_2$ /TiO $_2$多层纳米结构（$d^1$ - $d^0$界面）.量子限制的{ \it半金属} VO $_2$板绝缘TiO $_2$产生了一个意想不到的和前所未有的二维新的状态，与{ \it semiDirac}点费米表面：无自旋的载流子是有效质量沿一个主轴，但沿其他质量。界面缺陷的影响得到解决。
英文摘要：
Multilayer VO$_2$/TiO$_2$ nanostructures ($d^1$ - $d^0$ interfaces with no polar discontinuity) are studied with first principles density functional methods including structural relaxation. Quantum confinement of the {\it half metallic} VO$_2$ slab within insulating TiO$_2$ produces an unexpected and unprecendented two-dimensional new state, with a {\it semiDirac} point Fermi surface: spinless charge carriers are effective-mass like along one principal axis, but are massless along the other. Effects of interface imperfection are addressed.
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