اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدPhase Diagram and Superconductivity of Calcium Borohyrides at Extreme Pressures
106
0
0.0
(
0
)
تأليف
Simone Di Cataldo
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
Motivated by the recent discovery of near-room temperature superconductivity in high-pressure superhydrides, we investigate from first-principles the high-pressure superconducting phase diagram of the ternary Ca-B-H system, using ab-initio evolutionary crystal structure prediction, and Density Functional Perturbation Theory. We find that below 100 GPa all stable and weakly metastable phases are insulating. This pressure marks the appearance of several new chemically-forbidden phases on the hull of stability, and the first onset of metalization in CaBH$_5$. Metallization is then gradually achieved at higher pressure at different compositions. Among the metallic phases stable in the Megabar regime, we predict two high-$T_c$ superconducting phases with CaBH$_6$ and Ca$_2$B$_2$H$_{13}$ compositions, with critical temperatures of 119 and 89 K at 300 GPa, respectively, surviving to lower pressures. Ternary hydrides will most likely play a major role in superconductivity research in the coming years; our study suggests that, in order to reduce the pressure for the onset of metallicity and superconductivity, further explorations of ternary hydrides should focus on elements less electronegative than boron.
قيم البحث
اقرأ أيضاً
Studies of the effect of high pressure on superconductivity began in 1925 with the seminal work of Sizoo and Onnes on Sn to 0.03 GPa and have continued up to the present day to pressures in the 200 - 300 GPa range. Such enormous pressures cause profo
und changes in all condensed matter properties, including superconductivity. In high pressure experiments metallic elements, Tc values have been elevated to temperatures as high as 20 K for Y at 115 GPa and 25 K for Ca at 160 GPa. These pressures are sufficient to turn many insulators into metals and magnetics into superconductors. The changes will be particularly dramatic when the pressure is sufficient to break up one or more atomic shells. Recent results in superconductivity to Mbar pressures wll be discussed which exemplify the progress made in this field over the past 82 years.
The pressure induced superconductivity and structural evolution for Bi2Se3 single crystal have been studied. The emergence of superconductivity with onset transition temperature (Tc) about 4.4K is observed around 12GPa. Tc increases rapidly to the hi
ghest 8.5K at 16GPa, decreases to 6.5K at 21GPa, then keep almost constant. It is found that Tc versus pressure is closely related to the carrier density which increases by more than two orders of magnitude from 2GPa to 23GPa. High pressure synchrotron radiation measurements reveal structure transitions occur around 12GPa, 20GPa, and above 29GPa, respectively. A phase diagram of superconductivity versus pressure is obtained.
Recently, C. M. Pepin textit{et al.} [Science textbf{357}, 382 (2017)] reported the formation of several new iron polyhydrides FeH$_x$ at pressures in the megabar range, and spotted FeH$_5$, which forms above 130 GPa, as a potential high-tc supercon
ductor, because of an alleged layer of dense metallic hydrogen. Shortly after, two studies by A.~Majumdar textit{et al.} [Phys. Rev. B textbf{96}, 201107 (2017)] and A.~G.~Kvashnin textit{et al.} [J. Phys. Chem. C textbf{122}, 4731 (2018)] based on {em ab initio} Migdal-Eliashberg theory seemed to independently confirm such a conjecture. We conversely find, on the same theoretical-numerical basis, that neither FeH$_5$ nor its precursor, FeH$_3$, shows any conventional superconductivity and explain why this is the case. We also show that superconductivity may be attained by transition-metal polyhydrides in the FeH$_3$ structure type by adding more electrons to partially fill one of the Fe--H hybrid bands (as, e.g., in NiH$_3$). Critical temperatures, however, will remain low because the $d$--metal bonding, and not the metallic hydrogen, dominates the behavior of electrons and phonons involved in the superconducting pairing in these compounds.
The flourishing metal clathrate superhydrides is a class of recently discovered materials that possess record breaking near-room-temperature superconductivity at high pressures, because hydrogen atoms behave similarly to the atomic metallic hydrogen.
While series of rare-earth clathrate superhydrides have been realized, the superconductivity of the first proposed clathrate calcium superhydride that initiates this major discovery has not been observed yet and remains of fundamental interest in the field of high-pressure physics. Here, we report the synthesis of calcium superhydrides from calcium and ammonia borane precursors with a maximum superconducting temperature of 215 K at 172 GPa, confirmed by the observation of zero resistance through four-probe electrical transport measurements. An exceedingly high upper critical magnetic field was estimated to be 203 T at zero temperature in the WHH model. Inferred from the synchrotron X-ray diffraction, together with the consistency of superconducting transition temperature and equation of states between experiment and theory, sodalite-like clathrate CaH6 is one of the best candidates for this high-Tc CaHx.
Superconductivity in the cuprate superconductors and the Fe-based superconductors is realized by doping the parent compound with charge carriers, or by application of high pressure, to suppress the antiferromagnetic state. Such a rich phase diagram i
s important in understanding superconductivity mechanism and other physics in the Cu- and Fe-based high temperature superconductors. In this paper, we report a phase diagram in the single-layer FeSe films grown on SrTiO3 substrate by an annealing procedure to tune the charge carrier concentration over a wide range. A dramatic change of the band structure and Fermi surface is observed, with two distinct phases identified that are competing during the annealing process. Superconductivity with a record high transition temperature (Tc) at ~65 K is realized by optimizing the annealing process. The wide tunability of the system across different phases, and its high-Tc, make the single-layer FeSe film ideal not only to investigate the superconductivity physics and mechanism, but also to study novel quantum phenomena and for potential applications.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
