Structural defects in Cu-doped Bi<sub>2</sub>Te<sub>3</sub>single crystals

Bludská, Jana; Jakubec, Ivo; Drašar, Č.; Lošťák, P.; Horák, J.

doi:10.1080/14786430600990337

Cited by 47 publications

(37 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The model yields the concentrations of the electrically active defects as listed in Table I. 12,14 In Refs. 15 and 16, the authors presented direct evidence of a qualitatively new type of defect due to nonstoichiometry.…”

Section: Nonstoichiometry and Defects In Crystals With Tetradymite-tymentioning

confidence: 99%

See 1 more Smart Citation

Doping and Defect Structure of Tetradymite-Type Crystals

Drašar

Lošťák

Uher

2009

Journal of Elec Materi

View full text Add to dashboard Cite

Nonstoichiometry of tetradymite-type crystals A 2 V B 3 VI that are grown from stoichiometric melts leads to the formation of native defects in the crystal lattice (predominantly antisite defects, A B À1 and vacancies V B +2 in the anion sublattice). This paper summarizes the basic ideas concerning a point defect model in A 2 V B 3 VI crystals. It turns out that a variety of doping elements interact with the native defects. Such interactions alter the concentration of free charge carriers, affect the doping efficiency, and modify the transport properties. Detailed understanding of the defect structure in tetradymite-type crystals is very important as it impacts on the efficiency of these materials when used as active elements in thermoelectric coolers.

show abstract

Section: Nonstoichiometry and Defects In Crystals With Tetradymite-tymentioning

confidence: 99%

“…A detailed analysis of the defect structure in A 2 V B 3 VI has led to the development of a model of native defects. 3,5,[8][9][10][11] The model is based on the following assumptions: [12][13][14] ( …”

Section: Nonstoichiometry and Defects In Crystals With Tetradymite-tymentioning

confidence: 99%

Doping and Defect Structure of Tetradymite-Type Crystals

Drašar

Lošťák

Uher

2009

Journal of Elec Materi

View full text Add to dashboard Cite

show abstract

“…6,7,[14][15][16][17] In particular, the nature of the carrier type was found to be strongly dependent on intrinsic point defects, leading to intensive efforts to understand the role of these defects in variation of the thermoelectric properties. 5,7,10,[14][15][16][18][19][20][21][22][23] Consistent with the general behavior of A V 2 B V I 3 semiconductors, Bi 2 Te 3 crystals grown from stoichiometric melts show an enhanced overstoichiometry of the group-V element. Excess Bi can be accommodated in single-crystalline Bi 2 Te 3 by means of the following point-defect mechanisms: (i) antisite (AS) defects, i.e., by replacement of Te atoms on a Te sublattice by Bi atoms, denoted as Bi Te ; (ii) by additional regular Bi sites, i.e., Bi Bi , accompanied by the creation of vacancies on a Te sublattice, denoted as V Te ; (iii) by interstitial Bi atoms.…”

Section: Introductionmentioning

confidence: 99%

First-principles density functional theory study of native point defects in Bi2Te3

2011

View full text Add to dashboard Cite

We present a first-principles study of the native point defects in the thermoelectric material Bi2Te3. Calculated formation energies of defects and electronic densities of states were analyzed in detail. The most prominent native point defects considered are vacancies and antisite defects on the Bi, Te1, and Te2 sublattices of the Bi2Te3 structure. Vacancies on all three sublattices are found to have much higher formation energies than antisite defects. The most dominant antisite defects are found to be BiTe1 at Bi-rich conditions, and TeBi at Te-rich conditions. These lead to the formation of resonant defect states at the top of the valence band and bottom of the conduction band, respectively. Hence they are expected to impact charge and energy transport in a profound way. Furthermore antisite defect pairs tend to form at nearest-neighbor distances, and lead to substantial changes in the electronic structure and hence in the thermoelectric properties of Bi2Te3

show abstract

“…It thus seems evident that the high energy BM conducted in presence of the CNTs affects the bismuth telluride matrix. It has been reported that the addition of other elements like elemental copper [27][28] or SiC [29] during BM synthesis of Bi 2 Te 3 based alloys hinders the formation of defects, namely tellurium vacancy (V Te ), that are otherwise promoted by the BM . Thus, it appears in this study that the opposite effect is found when using CNTs, the huge variation of carrier concentration generated by a small addition of CNTs (BMA005 and BMA01) could be explained by the increase of V Te .…”

Section: Transport Propertiesmentioning

confidence: 99%