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With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…

Superconductivity · Physics 2017-05-24 M. M. Davari Esfahani , Q. Zhu , H. Dong , A. R. Oganov , S. Wang , M. S. Rakitin , X-F. Zhou

Experimentally discovered compounds in the iron-nitrogen system belong to the low concentration part of the Fe-N phase diagram. In our paper, which is based on ab initio calculations we have studied formation and stability of high-pressure…

Materials Science · Physics 2019-03-27 Alexey Kartsev , Oleg Feya , Nina Bondarenko , Alexander G. Kvashnin , Artem Oganov

We measured the electrical resistivity and ac magnetic susceptibility of BaFe2As2 and SrFe2As2 single crystals under pressure using a cubic anvil apparatus. For BaFe2As2, the antiferromagnetic (AF) and structural transitions are suppressed…

Solid hydrogen sulfide is well known as a typical molecular crystal but its stability under pressure is still under debate. Particularly, Eremets et al. found the high pressure superconductivity with $T_{c}\approx$ 190 K in a H$_{2}$S…

Superconductivity · Physics 2015-05-20 Defang Duan , Xiaoli Huang , Fubo Tian , Da Li , Hongyu , Yu , Yunxian Liu , Yanbin Ma , Bingbing Liu , Tian Cui

Prompted by the recent report on the evidence for superconductivity at ambient temperature and pressure in nanostructures of silver particles embedded into a gold matrix [arXiv:1807.08572], we have exploited first principles materials…

Superconductivity · Physics 2018-12-24 Surender Singh , Subhamoy Char , Dasari L. V. K. Prasad

Achieving robust room-temperature ferromagnetism in purely organic 2D crystals remains a fundamental challenge, primarily due to antiferromagnetic (AFM) coupling mediated by {\pi}-electron superexchange. Here, we present a mix-topology…

Materials Science · Physics 2025-08-26 Hongde Yu , Thomas Heine

We present here measurements of the thermopower, thermal conductivity, and electrical resistivity of the newly reported compound CaFe4As3. Evidence is presented from specific heat and electrical resistivity measurements that a substantial…

Strongly Correlated Electrons · Physics 2015-05-28 M. S. Kim , Z. P. Yin , L. L. Zhao , E. Morosan , G. Kotliar , M. C. Aronson

The electronic band structure of correlated Ca3Ru2O7 featuring an antiferromagnetic as well as a structural transition has been determined theoretically at high temperatures, which has led to the understanding of the remarkable properties…

Strongly Correlated Electrons · Physics 2018-01-30 Hui Xing , Libin Wen , Chenyi Shen , Jiaming He , Xinxin Cai , Jin Peng , Shun Wang , Mingliang Tian , Zhu-An Xu , Wei Ku , Zhiqiang Mao , Ying Liu

We present first principles exploration of 529 Fe$_3$XY$_2$ compounds, where $X$ and $Y$ elements are selected from the $p$-block of the periodic table. Out of the entire set, 31 compounds satisfy all criteria for energetic, dynamic,…

Materials Science · Physics 2025-09-03 Soheil Ershadrad , Biplab Sanyal

A series of SmFeAsO1-xFx (Sm1111) bulk samples (x = 0.05 to 0.40) are synthesized by an in-situ cubic-anvil high-pressure technique at 4 GPa and systematically characterized through structural, microstructural, Raman, transport, and…

We performed high-pressure angle dispersive x-ray diffraction measurements on Fe5Si3 and Ni2Si up to 75 GPa. Both materials were synthesized in bulk quantities via a solid-state reaction. In the pressure range covered by the experiments, no…

Materials Science · Physics 2010-05-04 D. Errandonea , D. Santamaria-Perez , A. Vegas , J. Nuss , M. Jansen , P. Rodriguez-Hernandez , A. Munoz

Recent demonstrations on manipulating antiferromagnetic (AF) order have triggered a growing interest in antiferromagnetic metal (AFM), and potential high-density spintronic applications demand further improvements in the anisotropic…

Mesoscale and Nanoscale Physics · Physics 2018-07-12 Youngseok Kim , Moon Jip Park , David G. Cahill , Matthew J. Gilbert

La0.7Ba0.3MnO3 (LBMO):Agx (x = 0.0, 0.1, 0.2, 0.3, and 0.4) composites are synthesized by solid-state reaction route, the final sintering temperatures are varied from 1300 (LBMO1300Ag) to 1400 0C (LBMO1400Ag), and their physical properties…

Strongly Correlated Electrons · Physics 2008-01-09 Rahul Tripathi , V. P. S. Awana , H. Kishan , S. Balamurugan , G. L. Bhalla

The improvement in the fabrication techniques of iron-based superconductors have made these materials real competitors of high temperature superconductors and MgB$_2$. In particular, iron-chalcogenides have proved to be the most promising…

The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc=26.5 T,…

We present the synthesis and study of the magnetic and electronic properties of NiFe2O4/{\gamma}-Al2O3/SrTiO3 heterostructure. The {\gamma}-Al2O3/SrTiO3 interface hosts a high-mobility two-dimensional electron gas (2DEG) with large…

Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. Due to the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding, with stoichiometry 1:1 dictated by charge balance,…

An unusual successive phase transition from superconducting (SC) to antiferromagnetic (AF) phases was discovered via ^{75}As and ^{27}Al nuclear magnetic resonance (NMR) in (Fe_2As_2)(Ca_6(Al, Ti)_4O_y) with four (Al, Ti)O layers…

Superconductivity · Physics 2011-08-12 T. Nakano , N. Fujiwara , S. Tsutsumi , H. Ogino , K. Kishio , J. Shimoyama

We report the electrical resistivity measurements under pressure for the recently discovered BiS2-based layered superconductors Bi4O4S3 and La(O,F)BiS2. In Bi4O4S3, the transition temperature Tc decreases monotonically without a distinct…

We report the results of Raman spectroscopy high-pressure studies of alkali metal fluoroargentates (M2AgF4, where M=Na, K, Rb) associated with theoretical and x-ray diffraction studies for the K member of the series. Theoretical density…