Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure: A First-Principles Study

Profeta, G.; Franchini, Cesare; Lathiotakis, N. N.; Floris, Andrea; Sanna, Antonio; Marques, Miguel A. L.; Lüders, M.; Massidda, S.; Gross, E. K. U.; Continenza, A.

doi:10.1103/physrevlett.96.047003

Cited by 173 publications

(162 citation statements)

References 29 publications

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“…The anionic electron may interact strongly with the rigid lattice framework that is formed due to the strong covalent and ionic bonds among Ca 2þ , Al 3þ and oxygen ions. These facts possibly lead to the high values of ($0:45) and Â D (604 K), which are much higher than those of alkali metals such as Li [31][32][33] That is, the strong electronphonon interactions likely resulted from the covalent and ionic bond nature of the oxide framework, is responsible for the emergence of the superconductivity in the C12A7 electride. …”

Section: Mechanism Of Superconducting Transitionmentioning

confidence: 99%

Superconducting Transition in Electron-Doped 12CaO·7Al2O3

et al. 2008

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It was reported that a mixed light metal oxide compound, 12CaOÁ7Al 2 O 3 (C12A7), which is known as a constituent of aluminous cement, became a superconductor at an ambient pressure by the exclusive replacement of extra-framework oxygen ions in subnanometer-sized crystallographic cages with electrons. Temperature dependences of resistivity, magnetic susceptibility, and magnetic field dependent resistivity of single-crystals and thin films revealed superconducting transition at temperature (T c ) of $0:4 K and a critical magnetic field of $30 mT. T c varies 0.2-0.4 K with the electron concentration. The interaction of the anionic electrons in the free space (cages) with the cationic framework may be responsible for the emergence of the superconducting state.

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Section: Mechanism Of Superconducting Transitionmentioning

confidence: 99%

Superconducting Transition in Electron-Doped 12CaO·7Al2O3

et al. 2008

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“…Superconducting properties have been computed within density functional for superconductors (SCDFT) [51,59,60], the method was described in previous references [59,60]. This theory of superconductivity is completely ab-initio, fully parameter-free and proved to be accurate and successful in describing phononic superconductors [61][62][63][64][65]. It allows to compute all superconducting properties including the critical temperature and the excitation spectrum of the system.…”

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confidence: 99%

High temperature superconductivity in sulfur and selenium hydrides at high pressure

2016

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Abstract. Due to its low atomic mass, hydrogen is the most promising element to search for hightemperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). (2015)], shows that metallization of hydrogen can be reached at significantly lower pressure by inserting it in the matrix of other elements. In this work we investigate the phase diagram and the superconducting properties of the H-S systems by means of minima hopping method for structure prediction and density functional theory for superconductors. We also show that Se-H has a similar phase diagram as its sulfur counterpart as well as high superconducting critical temperature. We predict H3Se to exceed 120 K superconductivity at 100 GPa. We show that both H3Se and H3S, due to the critical temperature and peculiar electronic structure, present rather unusual superconducting properties.Under high pressure conditions, insulating and semiconducting materials tend to become metallic, because, with increasing electronic density, the kinetic energy grows faster than the potential energy. As metallicity is a necessary condition for superconductivity, generally becomes more likely under pressure [1,2]. Wigner and Huntington [3], already in 1935 suggested the possibility of a metallic modification of hydrogen under very high pressures. Ashcroft and Richardson predicted [4,5] hydrogen to become metallic under pressure and also the possibility to be a high temperature superconductor. The high critical temperature (T C ) of hydrogen [6-8] is a consequence of its low atomic mass leading to high energy vibrational modes and in turn to a large phase space available for electronphonon scattering to induce superconductivity [9]. However, the estimated metallization pressure [10,11] is beyond the current experimental capabilities [12][13][14][15]. It was only recently that hydrogen-rich compounds (chemically pre-compressed) started to be explored as a way to decrease the tremendous metallization pressure of pure hydrogen [16]. The first system explored experimentally was silane (SiH 4 ) [17]. Soon after, many others materials have been explored experimentally [18][19][20][21] and theoretically [22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40].

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“…Within the class of conventional (meaning phonon-driven) SC, density functional theory for the SC state (SCDFT) [9], within the available functional [10,11], proved to be predictive and reliable [12][13][14][15][16][17][18][19][20][21]. However, since the pairing in the pnictides and cuprates is nonphononic [22,23], this SCDFT approach is not directly applicable, due to the limitations of the functional.…”

Section: Introductionmentioning

confidence: 99%

Superconducting pairing mediated by spin fluctuations from first principles

et al. 2014

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We present the derivation of an ab initio and parameter-free effective electron-electron interaction that goes beyond the screened random phase approximation and accounts for superconducting pairing driven by spin fluctuations. The construction is based on many-body perturbation theory and relies on the approximation of the exchange-correlation part of the electronic self-energy within time-dependent density functional theory. This effective interaction is included in an exchange-correlation kernel for superconducting density functional theory in order to achieve a completely parameter free superconducting gap equation. First results from applying the new functional to a simplified two-band electron gas model are consistent with experiments.

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Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure: A First-Principles Study

Cited by 173 publications

References 29 publications

Superconducting Transition in Electron-Doped 12CaO·7Al<SUB>2</SUB>O<SUB>3</SUB>

Superconducting Transition in Electron-Doped 12CaO·7Al<SUB>2</SUB>O<SUB>3</SUB>

High temperature superconductivity in sulfur and selenium hydrides at high pressure

Superconducting pairing mediated by spin fluctuations from first principles

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Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure: A First-Principles Study

Cited by 173 publications

References 29 publications

Superconducting Transition in Electron-Doped 12CaO&middot;7Al<SUB>2</SUB>O<SUB>3</SUB>

Superconducting Transition in Electron-Doped 12CaO&middot;7Al<SUB>2</SUB>O<SUB>3</SUB>

High temperature superconductivity in sulfur and selenium hydrides at high pressure

Superconducting pairing mediated by spin fluctuations from first principles

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Product

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Superconducting Transition in Electron-Doped 12CaO·7Al<SUB>2</SUB>O<SUB>3</SUB>

Superconducting Transition in Electron-Doped 12CaO·7Al<SUB>2</SUB>O<SUB>3</SUB>