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High-pressure polymeric structures of nitrogen have attracted great attention owing to their potential application as high-energy-density materials. We report the density functional structural prediction of the unexpected stabilization of a…

Materials Science · Physics 2012-06-26 Xiaoli Wang , Yanchao Wang , Maosheng Miao , Xin Zhong , Jian Lv , Jianfu Li , Li Chen , Chris J. Pickard , Yanming Ma

The intermetallic compound Eu$_5$In$_2$Sb$_6$, an antiferromagnetic material with nonsymmorphic crystalline structure, is investigated by magnetic, electronic transport and specific heat measurements. Being a Zintl phase, insulating…

For most practical applications in electronic devices, two-dimensional materials should be transferred onto semiconducting or insulating substrates, since they are usually generated on metallic substrates. However, the transfer often leads…

Materials Science · Physics 2019-07-24 Yan Qian , Erjun Kan , Kaiming Deng , Haiping Wu

We have synthesized a novel europium bismuth sulfofluoride, Eu3Bi2S4F4, by solid-state reactions in sealed evacuated quartz ampoules. The compound crystallizes in a tetragonal lattice (space group I4/mmm, a = 4.0771(1) A, c = 32.4330(6) A,…

Carbon-based molecular semiconductors are explored for application in spintronics because their small spin-orbit coupling promises long spin life times. We calculate the electronic transport from first principles through spin valves…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Deniz Çakır , Diana M. Otálvaro , Geert Brocks

Monolayer structures made up of purely one kind of atoms are fascinating. Many kinds of honeycomb systems including carbon, silicon, germanium, tin, phosphorus and arsenic have been shown to be stable. However, so far the structures are…

Mesoscale and Nanoscale Physics · Physics 2015-08-25 C. Kamal , Aparna Chakrabarti , Motohiko Ezawa

While achieving high Curie temperatures (above room temperature) in diluted magnetic semiconductors remains a challenge in the case of well controlled homogeneous alloys, several systems characterized by a strongly inhomogeneous…

Most conventional magnetic materials used in the electronic devices are ferrites, which are composed of micrometer-size grains. But ferrites have small saturation magnetization, therefore the performance at GHz frequencies is rather poor.…

Materials Science · Physics 2015-03-19 J. V. I. Timonen , R. H. A. Ras , O. Ikkala , M. Oksanen , E. Seppala , K. Chalapat , J. Li , G. S. Paraoanu

The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…

Materials Science · Physics 2008-09-14 Krzysztof Zberecki , Leszek Adamowicz , Michał Wierzbicki

Among exciting recent advances in the field of two-dimensional (2D) materials, the successful fabrications of the C60 fullerene networks has been a particularly inspiring accomplishment. Motivated by the recent achievements, herein we…

Materials Science · Physics 2023-08-11 Bohayra Mortazavi , Yves Remond , Hongyuan Fang , Timon Rabczuk , Xiaoying Zhuang

First-principles density functional theory (DFT) study of embedding V and Nb atom in monovacant and divacant graphene is reported. Complete/almost complete spin polarization is verified for V/Nb embedding in MV/DV graphene. The origin of…

Materials Science · Physics 2018-04-26 Jyoti Thakur , Manish K. Kashyap , Hardev S. Saini , Ali H. Reshak

The interplay of magnetic and semiconducting properties has been in the focus since more than a half of the century. In this introductory article we briefly review the key properties and functionalities of various magnetic semiconductor…

Materials Science · Physics 2019-09-09 Tomasz Dietl , Alberta Bonanni , Hideo Ohno

Structural and magnetic chiralities are found to coexist in a small group of materials in which they produce intriguing phenomenologies such as the recently discovered skyrmion phases. Here, we describe a previously unknown manifestation of…

Strongly Correlated Electrons · Physics 2015-06-16 R. D. Johnson , K. Cao , L. C. Chapon , F. Fabrizi , N. Perks , P. Manuel , J. J. Yang , Y. S. Oh , S-W. Cheong , P. G. Radaelli

Graphene, a flat monolayer of carbon atoms tightly packed into a two-dimensional honeycomb lattice (a one atom thick graphite sheet), is presently the hottest material in nanoscience and nanotechnology. Its challenging hypothetical…

Materials Science · Physics 2008-11-19 Abdelkader Kara , Christel Leandri , Benedicte Ealet , Hamid Oughaddou , Bernard Aufray , Guy Le Lay

Exploring and controlling magnetism in two-dimensional (2D) layered magnetic crystals, as well as their inclusion in heterogeneous assemblies, provide an unprecedented opportunity for fundamental science and technology. To date, however,…

Materials Science · Physics 2020-09-16 Pankaj Kumar , Ivan I. Naumov , Priyanka Manchanda , Pratibha Dev

The compound EuCo{2-y}As2 with the tetragonal ThCr2Si2 structure is known to contain Eu{+2} ions with spin S = 7/2 that order below a temperature TN = 47 K into an antiferromagnetic (AFM) proper helical structure with the ordered moments…

Strongly Correlated Electrons · Physics 2018-04-25 N. S. Sangeetha , V. K. Anand , Eduardo Cuervo-Reyes , V. Smetana , A. -V. Mudring , D. C. Johnston

We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite…

Materials Science · Physics 2009-11-11 S. Dag , S. Tongay , T. Yildirim , E. Durgun , R. T. Senger , C. Y. Fong , S. Ciraci

Topologically protected swirl of the magnetic texture known as the Skyrmion has become ubiqui- tous in both metallic and insulating chiral magnets. Meanwhile the existence of its three-dimensional analogue, known as the magnetic monopole,…

Strongly Correlated Electrons · Physics 2016-08-24 Seong-Gyu Yang , Ye-Hua Liu , Jung Hoon Han

Single magnetic atoms or molecules with large single-ion magnetic anisotropy are highly desired for future applications in high-density data storage and quantum computation. Here we have synthesized an Fe-porphyrin complex on Au(111)…

Mesoscale and Nanoscale Physics · Physics 2017-07-19 Bing Liu , Huixia Fu , Jiaqi Guan , Bin Shao , Sheng Meng , Jiandong Guo , Weihua Wang

The multiple-spin exchange frequencies of the bilayer Wigner crystal are determined by the semiclassical method, which is asymptotically exact in the limit of dilute electron densities. The evolution of the exchange frequencies with…

Strongly Correlated Electrons · Physics 2025-03-05 Ilya Esterlis , Dmitry Zverevich , Zekun Zhuang , Alex Levchenko