Superior room-temperature power factor in GeTe systems via multiple valence band convergence to a narrow energy range

Prediction of stable silver selenide-based energy materials sustained by rubidium selenide alloying

“…For the Rb 2 Ag 2 Se 2 phase, reducing its dimensionality from the bulk to the monolayer could significantly decrease the m and E D of the holes, that improving its p-type nature TE performance. Upon optimal doping, bulk phase of Rb 6 Ag 2 Se 4 and monolayer phase of Rb 2 Ag 2 Se 2 displayed a coexistence of ZT around unity over a wide temperature range and a reasonable PF, particularly the latter which showed PF 4 2.5 mW m À1 K À1 above a medium temperature, which was comparable to the typical good thermoelectric GeTe 69 and surpassing WSe 2 (0.8 at 1200 K) 70 plus GeSb (0.7 at 700 K). 71…”

Dataset of the crystal structures, electrical transport properties, and first-principles electronic structures of GeTe-rich GeTe-Sb2Te3 thermoelectric materials

“…The data presented in this article are in reference to the research article entitled “Superior room-temperature power factor in GeTe systems via multiple valence band convergence to a narrow energy range” [1] . All the numerical datum referred to in this section are also available as supplementary data files.…”

High thermoelectric performance of two-dimensional layered AB2Te4 (A = Sn, Pb; B = Sb, Bi) ternary compounds

“…The widely used strategies of enhancing the power factor include optimized carrier concentration [12][13][14] and band engineering 15 such as carrier filtering, 16 band flattening, 17,18 resonant state, [19][20][21][22] and band convergence. [23][24][25][26][27] Actually, for heavily doped TE materials limited by acoustic phonon scattering, S is proportional to the density of states effective mass 28…”

“…A large N v can be obtained by reconstructing two low-symmetric compounds into a high-symmetric structure 30 or by alloying to converge multivalley to a narrow energy regime in the Brillouin zone. [23][24][25][26][27] Overall, inherently large N v and appropriate m à b in conjunction with inherently strong phonon scattering are very satisfactory for realizing high zT.…”

“…PbBi 2 Te 4 has been systematically studied 35 to have a low lattice thermal conductivity (o0.9 W m À1 K À1 ), lower than that of the component Bi 2 Te 3 , a Seebeck coefficient of -40 mV K À1 , and rather large carrier concentration (B10 20 cm À3 ) at 300 K. The Seebeck coefficient value is comparable to n-type Bi 2 Te 3 at the same carrier concentration, but its carrier mobility (B20 cm 2 V À1 s À1 ) is quite low, and as a result, it shows a moderate zT value of 0.4 at 500 K. Besides, their GeBi 2 Te 4 and SnBi 2 Te 4 analogues exhibit that both p-and n-type semiconductor behavior because of the struggle of acceptor and donor defects, which provides many opportunities for seeking high-performance p-and n-type thermoelectric materials in these homologues. [36][37][38][39][40][41][42][43] However, the incongruent melting points in these compounds make it difficult to synthesize pure sample via solid state melting at high temperature.…”