Using Density Functional Theory we predict that substitutional N doping in nonmagnetic WO₃ exhibits room temperature ferromagnetism with 1.0 µ_B magnetic moment per defect. Induced moment is mostly contributed by 2p orbitals of N and O atoms. The Curie temperature from mean-field approximations and room temperature molecular dynamics simulations entrench that ferromagnetism persists at room temperature. The GGA results have been confirmed with more accurate hybrid functional (HSE06) calculations. As the facts that ferromagnetism persists at room temperature, structure remains stable at high temperature and have favourable formation energy signify that N doped WO₃ can be used as spintronic devices.

使用密度泛函理论我们预测，取代N掺杂在非磁性WO _3所表现出室温铁磁性用1.0μ_乙每个缺陷磁矩。感应力矩主要由N和O原子的2p轨道贡献。从平均场近似和室温分子动力学模拟得出的居里温度表明，铁磁性在室温下仍然存在。GGA结果已通过更准确的混合功能（HSE06）计算得到证实。由于铁磁性在室温下持续存在的事实，因此结构在高温下保持稳定并且具有良好的形成能，这表明可以将N掺杂的WO ₃用作自旋电子器件。