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Prediction of Intrinsic Valley Polarization in Single-Layer GdX2 (X = Br, Cl) from a First-Principles Study
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2021-09-17 , DOI: 10.1002/pssb.202100356 Feng Ding 1 , Shilei Ji 1 , Shasha Li 1 , Lixia Wang 1 , Hong Wu 1 , Zhengfei Hu 1 , Feng Li 1 , Yong Pu 1
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2021-09-17 , DOI: 10.1002/pssb.202100356 Feng Ding 1 , Shilei Ji 1 , Shasha Li 1 , Lixia Wang 1 , Hong Wu 1 , Zhengfei Hu 1 , Feng Li 1 , Yong Pu 1
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The key to manipulating valley degrees of freedom is to achieve valley polarization. Intrinsic valley polarization materials provide a new platform for the development of valleytronics. Herein, it is found that single-layer (SL) GdX2 (X = Br, Cl) are ferrovalley materials. Their valley polarization values are 79 and 35 meV by first-principles calculations. In addition, SL GdBr2 is taken as an example and its valley physical properties are studied. Its valley polarization can be effectively tuned by the external strains. When tensile strain 4% is applied, the valley polarization value of a SL of GdBr2 can reach 107 meV. Moreover, by reversing the spin orientation of SL GdBr2, the valley polarization of the SL GdBr2 can be reversed. This is very necessary for using the electron′s valley degree of freedom to encode and process information. In addition, the doping of electrons and holes has a significant effect on the valley polarization of SL GdBr2. The results provide a new family of ferrovalley materials GdX2 (X = Br, Cl).
中文翻译：
从第一性原理研究预测单层 GdX2 (X = Br, Cl) 中的本征谷极化
操纵谷自由度的关键是实现谷极化。本征谷极化材料为谷电子学的发展提供了新的平台。在此，发现单层(SL) GdX 2 (X = Br, Cl)是铁谷材料。根据第一性原理计算，它们的谷极化值为 79 和 35 meV。此外，还以SL GdBr 2为例，研究了其谷物理性质。它的谷极化可以通过外部应变有效地调整。当施加4%的拉伸应变时，GdBr 2的SL的谷极化值可以达到107 meV。此外，通过反转SL GdBr的自旋方向2，在SL GdBr谷偏振2可以逆转。这对于利用电子谷自由度对信息进行编码和处理是非常必要的。此外，电子和空穴的掺杂对SL GdBr 2的谷极化有显着影响。结果提供了一类新的铁谷材料 GdX 2 (X = Br, Cl)。
更新日期：2021-09-17
中文翻译：
从第一性原理研究预测单层 GdX2 (X = Br, Cl) 中的本征谷极化
操纵谷自由度的关键是实现谷极化。本征谷极化材料为谷电子学的发展提供了新的平台。在此，发现单层(SL) GdX 2 (X = Br, Cl)是铁谷材料。根据第一性原理计算，它们的谷极化值为 79 和 35 meV。此外，还以SL GdBr 2为例，研究了其谷物理性质。它的谷极化可以通过外部应变有效地调整。当施加4%的拉伸应变时，GdBr 2的SL的谷极化值可以达到107 meV。此外，通过反转SL GdBr的自旋方向2，在SL GdBr谷偏振2可以逆转。这对于利用电子谷自由度对信息进行编码和处理是非常必要的。此外，电子和空穴的掺杂对SL GdBr 2的谷极化有显着影响。结果提供了一类新的铁谷材料 GdX 2 (X = Br, Cl)。
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