Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Structural Changes as a Function of Thickness in [(SnSe) 1+δ ] m TiSe 2 Heterostructures

Journal Article · · ACS Nano
ORCiD logo [1];  [1];  [1];  [1];  [1];  [1];  [2]; ORCiD logo [1]
  1. Univ. of Oregon, Eugene, OR (United States)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States); Univ. of Oregon, Eugene, OR (United States)
+ Show Author Affiliations

Single- and few-layer metal chalcogenide compounds are of significant interest due to structural changes and emergent electronic properties on reducing dimensionality from three to two dimensions. To explore dimensionality effects in SnSe, a series of [(SnSe)1+δ]mTiSe2 intergrowth structures with increasing SnSe layer thickness (m = 1-4) were prepared from designed thin-film precursors. In-plane diffraction patterns indicated that significant structural changes occurred in the basal plane of the SnSe constituent as m is increased. Scanning transmission electron microscopy cross-sectional images of the m = 1 compound indicate long-range coherence between layers, whereas the m >/= 2 compounds show extensive rotational disorder between the constituent layers. For m >/= 2, the images of the SnSe constituent contain a variety of stacking sequences of SnSe bilayers. Density functional theory calculations suggest that the formation energy is similar for several different SnSe stacking sequences. The compounds show unexpected transport properties as m is increased, including the first p-type behavior observed in (MSe)m(TiSe2)n compounds. The resistivity of the m >/- 2 compounds is larger than for m = 1, with m = 2 being the largest. At room temperature, the Hall coefficient is positive for m = 1 and negative for m = 2-4. The Hall coefficient of the m = 2 compound changes sign as temperature is decreased. The room-temperature Seebeck coefficient, however, switches from negative to positive at m = 3. These properties are incompatible with single band transport indicating that the compounds are not simple composites.

Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
AC36-08GO28308
OSTI ID:
1422879
Report Number(s):
NREL/JA-5K00-70991
Journal Information:
ACS Nano, Vol. 12, Issue 2; ISSN 1936-0851
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 8 works
Citation information provided by
Web of Science

References (60)

Nobel Lecture: Graphene: Materials in the Flatland journal August 2011
Nobel Lecture: Random walk to graphene journal August 2011
Heterostructures containing dichalcogenides-new materials with predictable nanoarchitectures and novel emergent properties journal August 2017
Mixed-dimensional van der Waals heterostructures journal August 2016
Atomically Thin MoS2 A New Direct-Gap Semiconductor journal September 2010
Evolution of Electronic Structure in Atomically Thin Sheets of WS 2 and WSe 2 journal December 2012
Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles journal August 2013
Ultrafast Band Structure Control of a Two-Dimensional Heterostructure journal May 2016
Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor journal August 2014
Observation of Ultrafast Free Carrier Dynamics in Single Layer MoS 2 journal August 2015
Single-layer MoS 2 on Au(111): Band gap renormalization and substrate interaction journal April 2016
Van der Waals heterostructures journal July 2013
Size-Dependent Structural Distortions in One-Dimensional Nanostructures journal January 2013
Structure of Turbostratically Disordered Misfit Layer Compounds [(PbSe) 0.99 ] 1 [WSe 2 ] 1 , [(PbSe) 1.00 ] 1 [MoSe 2 ] 1 , and [(SnSe) 1.03 ] 1 [MoSe 2 ] 1 journal November 2012
Impact of thickness on crystal structure and optical properties for thermally evaporated PbSe thin films journal April 2015
Structural and Electrical Properties of ([SnSe] 1+δ ) m (NbSe 2 ) 1 Compounds: Single NbSe 2 Layers Separated by Increasing Thickness of SnSe journal January 2015
Carrier dilution in TiSe 2 based intergrowth compounds for enhanced thermoelectric performance journal January 2015
Suppressing a Charge Density Wave by Changing Dimensionality in the Ferecrystalline Compounds ([SnSe] 1.15 ) 1 (VSe 2 ) n with n = 1, 2, 3, 4 journal January 2015
The Crystal Structure of the Low Temperature Modification of Thallous Iodide journal December 1936
Neutron diffraction study of the structural phase transition in SnS and SnSe journal January 1986
Refinement of the structures of GeS, GeSe, SnS and SnSe journal January 1978
The high temperature structure of β-SnS and β-SnSe and the B16-to-B33 type λ-transition path journal January 1981
Synthesis of [(SnSe) 1.15 ] m (TaSe 2 ) n Ferecrystals: Structurally Tunable Metallic Compounds journal November 2012
Controlling Size-Induced Phase Transformations Using Chemically Designed Nanolaminates journal October 2013
Effect of Local Structure of NbSe 2 on the Transport Properties of ([SnSe] 1.16 ) 1 (NbSe 2 ) n Ferecrystals journal March 2015
In-plane structure of ferecrystalline compounds: In-plane structure of ferecrystalline compounds journal May 2015
Long-Range Order in [(SnSe) 1.2 ] 1 [TiSe 2 ] 1 Prepared from Designed Precursors journal March 2017
Controlled synthesis of new compounds using modulated elemental reactants journal April 1998
The Synthesis, Structure, and Electrical Characterization of (SnSe) 1.2 TiSe 2 journal November 2014
New Layered Intergrowths in the Sn-Mo-Se System journal February 2012
Characterization of Nonstoichiometric Ti1+x Se2 Prepared by the Method of Modulated Elemental Reactants journal December 2012
Structural and electrical properties of (PbSe) 1·16 TiSe 2 journal November 2012
Synthesis, Structure, and Properties of Turbostratically Disordered (PbSe) 1.18 (TiSe 2 ) 2 journal June 2013
Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction journal March 1988
Synthesis and characterization of turbostratically disordered (BiSe) 1.15 TiSe 2 journal May 2014
Tuning Electrical Properties through Control of TiSe 2 Thickness in (BiSe) 1+δ (TiSe 2 ) n Compounds journal August 2015
Kinetically Controlled Site-Specific Substitutions in Higher-Order Heterostructures journal May 2015
Phase width of kinetically stable ([PbSe]1+)1 ( TiSe 2 ) 1 ferecrystals and the effect of precursor composition on electrical properties journal October 2015
Local structure and defect chemistry of [(SnSe)1.15] (TaSe2) ferecrystals – A new type of layered intergrowth compound journal December 2013
Influence of Defects on the Charge Density Wave of ([SnSe] 1+δ ) 1 (VSe 2 ) 1 Ferecrystals journal July 2015
Insights into the Self-Assembly of Ferecrystalline Compounds from Designed Amorphous Precursors journal April 2013
Polymorphism in some Iv‐Vi Compounds Induced by high Pressure and Thin‐Film Epitaxial Growth journal May 1967
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
Structure, Stability, and Properties of the Intergrowth Compounds ([SnSe] 1+δ ) m (NbSe 2 ) n , where m = n = 1–20 journal April 2015
Metal-insulator transitions journal October 1998
Electronic properties and superlattice formation in the semimetal TiSe 2 journal November 1976
Magnetoresistance and Hall effect in a disordered two-dimensional electron gas journal December 1980
Misfit layer compounds: Structures and physical properties journal January 1996
Structure–property relationships in non-epitaxial chalcogenide heterostructures: the role of interface density on charge exchange journal January 2016
Determination of the composition of Ultra-thin Ni-Si films on Si: constrained modeling of electron probe microanalysis and x-ray reflectivity data journal November 2008
WinPLOTR: A Windows Tool for Powder Diffraction Pattern Analysis journal October 2001
Recent advances in magnetic structure determination by neutron powder diffraction journal October 1993
Sample preparation for atomic-resolution STEM at low voltages by FIB journal March 2012
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Projector augmented-wave method journal December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Generalized Gradient Approximation Made Simple journal October 1996
Special points for Brillouin-zone integrations journal June 1976

Cited By (2)

Electronic structure of designed [(SnSe)1+δ]m[TiSe2]2 heterostructure thin films with tunable layering sequence journal April 2019
Superlattices based on van der Waals 2D materials journal January 2019

Figures / Tables (12)

Figure 1(p. 2)figure Figure 1
Table 1(p. 2)table Table 1
Figure 2(p. 3)figure Figure 2
Figure 3(p. 4)figure Figure 3
Figure 4(p. 4)figure Figure 4
Figure 5(p. 5)figure Figure 5
Figure 6(p. 5)figure Figure 6
Figure 7(p. 6)figure Figure 7
Figure 8(p. 7)figure Figure 8
Table 2(p. 7)table Table 2
Figure 9(p. 8)figure Figure 9
Table 3(p. 8)table Table 3

Similar Records

Related Subjects

36 MATERIALS SCIENCE
heterostructures
kinetic products
layered compound
low-dimensional materials
structural distortion
tin selenide