Abstract:The thermal lattice expansion in the superconducting Mg 1-x Al x B 2 system (x=0, 0.13 and 0.59) has been measured using high-resolution X-ray powder diffraction. An unusual large negative
“…A crossover can be observed at T NTE ∼50 K, where the positive thermal expansion (PTE) changes to NTE, whereas it remains approximately constant below 40 K. The anisotropic NTE effects are observed in the region of 40 to 50 K. The solid lines depict the NTE coefficients of α a = 3.477 × 10 −5 K −1 and α c =2.397×10 −5 K −1 , respectively. The fitting results exhibit changes in the basal plane of NTE to be about 1.45 times larger than the c-axis, confirming the unexpectedly large and anisotropic NTE behavior in MgB 2 [16][17][18]. A change in thermal expansion at T C is expected from the Ehrenfest relation for a second-order phase transition.…”
To study the origin of negative thermal expansion effects near the superconducting transition temperature TC in MgB2, low-temperature high-energy synchrotron radiation x-ray diffraction was used to probe the charge redistribution near the boron atoms. Our results reveal that the in-plane hole-distribution of B− hops through the direct orbital overlap of Mg2+ along the c-axis at 50 K and is re-distributed out-of-plane. This study shows that the out-of-plane π-hole distribution plays a dominant role in the possible origin of superconductivity and negative thermal effects in MgB2.
“…A crossover can be observed at T NTE ∼50 K, where the positive thermal expansion (PTE) changes to NTE, whereas it remains approximately constant below 40 K. The anisotropic NTE effects are observed in the region of 40 to 50 K. The solid lines depict the NTE coefficients of α a = 3.477 × 10 −5 K −1 and α c =2.397×10 −5 K −1 , respectively. The fitting results exhibit changes in the basal plane of NTE to be about 1.45 times larger than the c-axis, confirming the unexpectedly large and anisotropic NTE behavior in MgB 2 [16][17][18]. A change in thermal expansion at T C is expected from the Ehrenfest relation for a second-order phase transition.…”
To study the origin of negative thermal expansion effects near the superconducting transition temperature TC in MgB2, low-temperature high-energy synchrotron radiation x-ray diffraction was used to probe the charge redistribution near the boron atoms. Our results reveal that the in-plane hole-distribution of B− hops through the direct orbital overlap of Mg2+ along the c-axis at 50 K and is re-distributed out-of-plane. This study shows that the out-of-plane π-hole distribution plays a dominant role in the possible origin of superconductivity and negative thermal effects in MgB2.
“…Up to now, a wide and diverse field of compounds is known, where small structural changes occur that are either in a competition with the onset of superconductivity, leave it unaffected or even lead to its stabilization [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26]. These structural changes can be subtle and solely indicated by an anomaly in the thermal expansion directly above the T c as exemplified by the broadly known MgB 2 [27][28][29]. But they may also break the rotational and/or translational symmetry of the crystal structure as demonstrated by the trigonal-to-triclinic phase transitions in the Chevrel phases [8-10, 26, 30-32] or the tetragonal-to-orthorhombic phase transitions in the iron-based superconductors [12][13][14][15][16]33].…”
We provide new information on the progression of the structurally low-dimensional superconductor Sc3CoC4 from its high-temperature phase to its Peierls-type distorted low-temperature phase. Results from inelastic x-ray scattering, diffuse scattering and high-resolution x-ray diffraction experiments provide conclusive evidence that the onset of a modulation in the atomic positions during the structural transition is primarily driven by a combination of phonon softening and order-disorder transition. The completion of the phonon softening process at approx. 150 K is found to be followed by two additional stages, i.e. an accumulation of gradual structural changes between 150 K and 80 K and their saturation into the final low-temperature phase structure below approx. 80 K.
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