Fluctuating lattice constants of indium under high pressure
2004 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 92, no 19Article in journal (Refereed) Published
Recent high-pressure investigations of elemental In have yielded controversial results. We show that the observed high-pressure face-centered orthorhombic (fco) structure can be explained as an intermediate state between two body-centered tetragonal (bct) structures with different c/a ratios (c/a < &RADIC;2 and c/a > root2, respectively). In a pressure range from about 50 to 200 GPa these two bct structures correspond to local minima of the total energy with respect to orthorhombic distortion of the ground-state bct In structure. The fco saddle point represents a tiny barrier and even at low temperatures rapid structural fluctuations should occur. Such a situation has not been identified in any other elemental metal.
Place, publisher, year, edition, pages
2004. Vol. 92, no 19
augmented-wave method, phase-transition, metals
IdentifiersURN: urn:nbn:se:kth:diva-23434DOI: 10.1103/PhysRevLett.92.195501ISI: 000221540900024ScopusID: 2-s2.0-17044446193OAI: oai:DiVA.org:kth-23434DiVA: diva2:342132
QC 20100525 QC 201110252010-08-102010-08-102011-10-26Bibliographically approved