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We explore the topological behavior of the binary Zintl phase of the alkaline earth metals based compounds Sr$_2$Pb and Sr$_2$Sn using both standard and hybrid density functional theory. It is found that Sr$_2$Pb lies on the verge of a…

Materials Science · Physics 2015-05-28 Yan Sun , Xing-Qiu Chen , Dianzhong Li , Cesare Franchini , Seiji Yunoki , Yiyi Li , Zhong Fang

The mechanical stretchability is the magnitude of strain which a material can suffer before it breaks. Materials with high mechanical stretchability, which can reversibly withstand extreme mechanical deformation and cover arbitrary surfaces…

Materials Science · Physics 2015-01-20 Ming Yang , Wu-Ming Liu

We report results from two-dimensional Raman spectroscopy studies of large-area epitaxial graphene grown on SiC. Our work reveals unexpectedly large variation in Raman peak position across the sample resulting from inhomogeneity in the…

Materials Science · Physics 2015-05-13 J. A. Robinson , C. P. Puls , N. E. Staley , J. Stitt , M. A. Fanton , K. V. Emtsev , T. Seyller , Y. Liu

We use angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of CaFe2As2 - parent compound of a pnictide superconductor. We find that the structural and magnetic transition is accompanied by a three- to…

In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends…

Materials Science · Physics 2017-03-13 Jesús Carrete , Luis J. Gallego , Natalio Mingo

We experimentally investigated the properties of graphite layers produced by an easy and non-conventional method of repeatedly rubbing conventional random stacked graphite bulk against insulating and semiconductor substrates. The patterned…

Materials Science · Physics 2014-02-18 A. R. Mailian , G. Sh. Shmavonyan , M. R. Mailian

The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular dynamics. The surface relaxation led to surface…

Polycrystalline graphene has an inherent tendency to buckle, i.e. develop out-of-plane, three-dimensional structure. A force applied to stretch a piece of polycrystalline graphene influences the out-of-plane structure. Even if the graphene…

Materials Science · Physics 2019-10-28 Federico D'Ambrosio , Vladimir Juričić , Gerard T. Barkema

Phosphorene, a 2D allotrope of phosphorus, is technologically very appealing because of its semiconducting properties and narrow band gap. Further reduction of the phosphorene dimensionality may spawn exotic properties of its electronic…

Today the study of two-dimensional (2D) materials has become one of the key objectives of materials science. Unlike their three-dimensional counterparts, 2D materials can simultaneously demonstrate unique transport and mechanical properties…

Materials Science · Physics 2021-03-16 Arslan B. Mazitov , Artem R. Oganov

We grow AlN/4H-SiC and AlN/6H-SiC heterostructures by physical vapor deposition and characterize the heterointerface with nanoscale resolution. Furthermore, we investigate the spatial stress and strain distribution in these heterostructures…

Epitaxial graphene grown on metallic substrates presents, in several cases, a long-range periodic structure due to a lattice mismatch between the graphene and the substrate. For instance, graphene grown on Ir(111), displays a corrugated…

Two-dimensional (2D) honeycomb lattices beyond graphene, such as germanene, promise new physical properties such as quantum spin Hall effect. While there have been many claims of growth of germanene, the lack of precise structural…

Charge transfer from a metal substrate stabilizes honeycomb borophene, whose electron deficit would otherwise spoil the hexagonal order of a $\pi$-bonded 2D atomic network. However, the coupling between the substrate and the boron overlayer…

Materials Science · Physics 2022-11-30 Mandana Safari , Erik Vesselli , Stefano de Gironcoli , Stefano Baroni

Unlike silicene, for which the demonstration of its existence has been done through numerous independent studies, the possibility of growing epitaxial germanene remains highly controversial. It has been recently shown by scanning tunneling…

Two dimensional allotropes of group IV substrates including silicene, germanene and stanene have recently attracted considerable attention in nanodevice fabrication industry. These materials involving the buckled structure have been…

Materials Science · Physics 2017-04-17 B Mortazavi , O Rahaman , M Makaremi , A Dianat , G Cuniberti , T Rabczuk

We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial…

Materials Science · Physics 2015-11-09 Marjan Aslani , C. Michael Garner , Suhas Kumar , Dennis Nordlund , Piero Pianetta , Yoshio Nishi

We propose four different thermodynamically stable structural phases of arsenic monolayers based on ab-initio density functional theory calculations all of which undergo a topological phase transition on application of a perpendicular…

Materials Science · Physics 2016-07-20 Sougata Mardanya , Vinay Kumar Thakur , Somnath Bhowmick , Amit Agarwal

We present a new method of producing a densely ordered array of epitaxial graphene nanoribbons (GNRs) using vicinal SiC surfaces as a template, which consist of ordered pairs of (0001) terraces and nanofacets. Controlled selective growth of…

In newly discovered topological crystalline insulators (TCIs), the unique crystalline protection of the surface state (SS) band structure has led to a series of intriguing predictions of strain generated phenomena, from the appearance of…

Mesoscale and Nanoscale Physics · Physics 2015-11-20 Ilija Zeljkovic , Daniel Walkup , Badih Assaf , Kane L Scipioni , R. Sankar , Fangcheng Chou , Vidya Madhavan