References
- Bed P, Qing H, Ren Z. High-thermoelectric performance of nanostructured bismuth antimony telluride bulk alloys. Science. 2008;320:634–638.
- Liu W, Zhang Q, Ren Z. Thermoelectric property studies on Cu-doped n-type CuxBi2Te2.7Se0.3 nanocomposites. Adv Energy Mater. 2011;1:577–587.
- Hu L, Zhu T, Liu X, et al. Point defect engineering of high-performance bismuth-telluride-based thermoelectric materials. Adv Funct Mater. 2014;24:5211–5218.
- Kürkçü C, Yamçıçıer Ç, Kurban M. Structural evolution and electronic properties of CaS: an ab initio study. Solid State Sci. 2019;90:14–20.
- Kurban M. Tunable electronic structure and structural transition of GaAs clusters at high pressure and temperature. J Alloys Compd. 2019;791:1159–1166.
- Kurban M, Kürkçü C, Yamçıçıer Ç, et al. A study of structural phase transitions and optoelectronic properties of perovskite-type hydride MgFeH3: ab initio calculations. J Phys Condens Matter. 2019;31(30):305401.
- Matsubayashi K, Terai T, Zhou J, et al. Superconductivity in the topological insulator Bi2Te3 under hydrostatic pressure. Phys Rev B. 2014;90:125126.
- Fu L, Berg E. Odd-parity topological superconductors: theory and application to CuxBi2Se3. Phys Rev Lett. 2010;105:097001.
- Jacobsen MK, Kumar RS, Cornelius AL, et al. High pressure X-ray diffraction studies of Bi2-xSbxTe3 (x = 0, 1, 2). AIP Conf Proc. 2007;955:171–174.
- Nakayama A, Einaga M, Tanabe Y, et al. Structural phase transition in Bi2Te3 under high pressure. High Pressure Res. 2009;29:245–249.
- Zhu L, Wang H, Wang Y, et al. Substitutional alloy of Bi and Te at high pressure. Phys Rev Lett. 2011;106:145501.
- Wang Y, Lv J, Zhu L, et al. CALYPSO: a method for crystal structure prediction. Comput Phys Commun. 2012;183:2063–2070.
- Xiao G, Wang K, Zhu L, et al. Pressure-induced reversible phase transformation in nanostructure Bi2Te3 with reduced transition pressure. J Phys Chem C. 2015;119:3843–3848.
- Zhang S, Zhang J, Yu X, et al. The comprehensive phase evolution for Bi2Te3 topological compound as function of pressure. J Appl Phys. 2012;111:112630.
- Zhao J, Liu H, Ehm L, et al. Pressure-induced disordered substitution alloy in Sb2Te3. Inorg Chem. 2011;50:11291–11293.
- Vilaplana R, Santamaría-Pérez D, Gomis O, et al. Structural and vibrational study of Bi2Se3 under high pressure. Phys Rev B. 2011;84:184110.
- Zhao J, Liu H, Ehm L, et al. High-pressure phase transitions, amorphization, and crystallization behaviors in Bi2Se3. J Phys: Condens Matter. 2013;25:125602.
- Kirshenbaum K, Syers PS, Hope AP, et al. Pressure-induced unconventional superconducting phase in the topological insulator Bi2Se3. Phys Rev Lett. 2013;111:087001.
- Yu Z, Wang L, Hu Q, et al. Structural phase transitions in Bi2Se3 under high pressure. Sci Rep. 2015;5:15939.
- Loa I, Bos JWG, Downie RA, et al. Atomic ordering in cubic bismuth telluride alloy phases at high pressure. Phys Rev B. 2016;93:224109.
- Jeffries JR, Sharma A, Sharma PA, et al. Distinct superconducting states in the pressure-induced metallic structures of the nominal semimetal Bi4Te3. Phys Rev B. 2011;84:092505.
- Brugger RM, Bennion RB, Worlton TG. The crystal structure of bismuth-II at 26 kBar. Phys Lett A. 1967;24:714–717.
- Zhang JL. Structures and properties of topological compounds under high pressure. 2011: 90–93. Chinese.
- Liu G, Yu Z, Liu H, et al. Unexpected semimetallic BiS2 at high pressure and high temperature. J Phys Chem Lett. 2018;9:5785–5791.
- Zhang W, Oganov AR, Goncharov AF, et al. Unexpected stable stoichiometries of sodium chlorides. Science. 2013;342:1502–1505.
- Oganov AR, Glass CW. Crystal structure prediction using ab initio evolutionary techniques: principles and applications. J Chem Phys. 2006;124:244704.
- Oganov AR, Lyakhov AO, Valle M. How evolutionary crystal structure prediction works – and why. Accounts Chem Res. 2011;44:227–237.
- Lyakhov AO, Oganov AR, Stokes HT, et al. New developments in evolutionary structure prediction algorithm USPEX. Comput Phys Commun. 2013;184:1172–1182.
- Blöchl PE. Projector augmented-wave method. Phys Rev B Condens Matter. 1994;50:17953–17979.
- Kresse G, Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B. 1996;54:11169–11186.
- Perdew JP, Ruzsinszky A, Csonka GI, et al. Restoring the density-gradient expansion for exchange in solids and surfaces. Phys Rev Lett. 2008;100:136406.
- Togo A, Oba F, Tanaka I. First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures. Phys Rev B. 2008;78:134106.
- Momma K, Izumi F. VESTA3 for three-dimensional visualization of crystal, volumetric and morphology data. J Appl Cryst. 2011;44:1272–1276.
- Cucka P, Barrett CS. The crystal structure of Bi and Te of solid solutions of Pb, Sn, Sb and Te in Bi. Acta Cryst. 1962;15:865–872.
- Häussermann U, Söderberg K, Norrestam R. Comparative study of the high-pressure behavior of As, Sb, and Bi. J Am Chem Soc. 2002;124:15359–15367.
- Chaimayo W, Lundegaard LF, Loa I, et al. High-pressure, high-temperature single-crystal study of Bi-IV. High Pressure Res. 2012;32:442–449.
- McMahon MI, Degtyareva O, Nelmes RJ. Ba-IV-type incommensurate crystal structure in group-V metals. Phys Rev Lett. 2000;85:4896–4899.
- Keller R, Holzapfel WB, Schulz H. Effect of pressure on the atom positions in Se and Te. Phys Rev B. 1977;16:4404–4412.
- Li X, Huang X, Wang X, et al. High-pressure dissociation of selenium and tellurium. Phys Chem Chem Phys. 2018;20:6116–6120.
- Yamana K, Kihara K, Matsumoto T. Bismuth tellurides: BiTe and Bi4Te3. Acta Cryst B. 1979;35:147–149.
- Feutelais Y, Legendre B. A study of the phases in the bismuth-tellurium system. Mat Res Bull. 1993;28:591–596.
- Adam A. Rietveld refinement of the semiconducting system Bi2-xFexTe3 from X-ray powder diffraction. Mat Res Bull. 2007;42:1986–1994.
- Vilaplana R, Gomis O, Manjón FJ, et al. High-pressure vibrational and optical study of Bi2Te3. Phys Rev B. 2011;84:104112.