Induced ferromagnetism in one-side semihydrogenated silicene and germanene
文献情報
Xin-Quan Wang, Han-Dong Li, Jian-Tao Wang
The intriguing electronic and magnetic properties of one-side semihydrogenated silicene and germanene are investigated by means of first-principles calculations. Both one-side semihydrogenated silicene and germanene are confirmed as dynamically stable in the ground state based on phonon-mode analysis. Moreover, we find that semihydrogenation from only one side causes localized and unpaired 3p (4p) electrons in the unhydrogenated Si (Ge) sites and then introduces ferromagnetism to silicene (germanene) sheet with no need for doping, cutting, or etching. One-side semihydrogenated silicene and germanene are both identified as semiconductors with direct energy gaps: their gap values obtained from the HSE06 functional are estimated to be 1.74 eV and 1.32 eV, much greater than the PBE-GGA results of 0.94 eV and 0.41 eV, respectively. From pristine to one-side semihydrogenated and then to fully hydrogenated systems, silicene and germanene change from metallic to magnetic semiconducting and then to nonmagnetic semiconducting. The hydrogenation process provides a novel method to tune the properties of silicene and germanene with unprecedented potentials for future nanoelectronics.
おすすめジャーナル

Acta Metallurgica Sinica-English Letters

Biocatalysis and Biotransformation

Medicinal Chemistry Research

Polycyclic Aromatic Compounds

Journal of Chemical Sciences

Electroanalysis

Critical Reviews in Solid State and Materials Sciences

Cellulose

Journal of Asian Natural Products Research

Herald of the Russian Academy of Sciences
関連文献
Non-equilibrium segmental dynamics driven by multiwall carbon nanotubes in PS/PVME blends
Priti Xavier, Suryasarathi Bose
DOI: 10.1039/C4CP00832D
Comparative dynamics of the two channels of the reaction of D + MuH
F. J. Aoiz, J. Aldegunde, V. J. Herrero, V. Sáez-Rábanos
DOI: 10.1039/C3CP53908C
Human serum albumin binding to silica nanoparticles – effect of protein fatty acid ligand
Joo Chuan Ang, Mark J. Henderson, Richard A. Campbell, Jhih-Min Lin, Peter N. Yaron, Andrew Nelson, Thomas Faunce, John W. White
DOI: 10.1039/C4CP00293H
Polymer-grafted multiwall carbon nanotubes functionalized by nitrene chemistry: effect on cooperativity and phase miscibility
Goutam Prasanna Kar, Priti Xavier, Suryasarathi Bose
DOI: 10.1039/C4CP01594K
Spectroscopic and viscometric elucidation of the interaction between a potential chloride channel blocker and calf-thymus DNA: the effect of medium ionic strength on the binding mode
Aniruddha Ganguly, Soumen Ghosh, Nikhil Guchhait
DOI: 10.1039/C4CP04175E
Structural dynamics effects on the ultrafast chemical bond cleavage of a photodissociation reaction
María E. Corrales, Garikoitz Balerdi, Rebeca de Nalda, Luis Bañares, Ahmed H. Zewail
DOI: 10.1039/C3CP54677B
Highly regioselective hydride transfer, oxidative dehydrogenation, and hydrogen-atom abstraction in the thermal gas-phase chemistry of [Zn(OH)]+/C3H8‡
Xiao-Nan Wu, Hai-Tao Zhao, Jilai Li, Maria Schlangen, Helmut Schwarz
DOI: 10.1039/C4CP02139H
The effect of a detonation nanodiamond coating on the thermal decomposition properties of RDX explosives
Yi Tong, Rui Liu, Tonglai Zhang
DOI: 10.1039/C4CP02237H
Trade-offs of the opto-electrical properties of a-Si:H solar cells based on MOCVD BZO films
Ze Chen, Xiao-dan Zhang, Jun-hui Liang, Jia Fang, Xue-jiao Liang, Jian Sun, De-kun Zhang, Xin-liang Chen, Qian Huang, Ying Zhao
DOI: 10.1039/C4CP04066J
Enhanced visible light photocatalytic activity of Cu2O via cationic–anionic passivated codoping
Yao Jiang, Hongkunag Yuan
DOI: 10.1039/C4CP03631J
こちらもおすすめ
2-メトキシ-4-(メチルスルフィニル)アミンの主な用途は何ですか?
2-メトキシ-4-(メチルスルフィニル)アミンは、主に医薬品および農薬の製造に使用されます。また、合成化学の一部として研究用材料としても利用されます。
4,6-二氯-N-甲基ピラミジンアミンの代替品はありますか?
代替品としては、4,6-二クロロピラミジンアミンや他のピラミジン系化合物が考えられます。ただし、目的と用途によって最適な代替品は異なります。
6-氯-4-甲基-1H-吲哚を含む廃棄物はどのように処理すべきですか?
6-氯-4-甲基-1H-吲哚の廃棄物は、適切な容器に収集し、密閉して保管します。温度は常温、湿度は低く、直射日光を避けて保管することを推奨します。廃棄処理は専門...
2-フローユロ-4-(トリフルオロメチル)ベンゾイドについて「に適用される法規ガイドラインは何ですか」
2-フローユロ-4-(トリフルオロメチル)ベンゾイドのCAS番号は207974-08-1です。この化合物はGHS分類で毒性物質と有害な反応物質として分類されます...
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸はどのように保存すればよいですか?
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸は、室温で暗所に保管し、乾燥した環境で保存することを推奨します。容器は密閉性の...
イソデスロラタドリンの代替品はありますか?
イソデスロラタドリンの代替品としては、デスロラタドリンや他の抗ヒスタミン薬が挙げられます。具体的には、デスロラタドリン、ラセカミド、フェルタドリンなどが、症状や...
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐はどのように合成されますか?
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐の一般的な合成方法は、メタノール中で5-メトキシ-1,2,3,4-四ヒュドロイソキシンを塩酸で塩化します。この反応で...
4-アミノ-5-メトキシ-2-トルエンサルホニック酸についての法規ガイドラインは何ですか?
CAS番号6471-78-9の4-アミノ-5-メトキシ-2-トルエンサルホニック酸は、GHS分類では corrosive(腐食性)と識別されます。EUのREAC...
甲基孕酮を取り扱う際の実験室安全事項は何ですか?
甲基孕酮の取り扱いは、PPE(個人保護具)の使用が必要な重要な安全事項を伴います。防塵マスク、ゴーグル、手袋を着用することが推奨されます。ドラフトチャンバーを使...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.




