Atch_SOW.pdf

Request For Quotation No. FA5209-16-T-1009 Attachment

STATEMENT OF WORK

FOR

DEPARTMENT OF THE ARMY

RESEARCH, DEVELOPMENT AND ENGINEERING COMMAND

INTERNATIONAL TECHNOLOGY CENTER-PACIFIC

(ITC-PAC)

Theoretical Investigation of Pressure-Induced Topological Phase Transitions In

3D and 2D Materials (Document No. W90GQZ-60850019)

1. PROGRAM SCOPE/OBJECTIVES.

Topological Insulators (TIs), as a new state of quantum matter, have created great excitement due to their peculiar properties. These unique states are characterized by an insulating gap in the bulk material and a robust metallic surface or edge state protected by time-reversal symmetry:

their physics is independent of whether time is flowing backward or forward.

Despite extensive studies on bismuth and antimony-based TI materials, only a few materials have been identified, which can harbor interplay of symmetry-breaking and topological phases for their applications in the fields ranging from spintronics to superconductivity. Recently, pressure has been proposed to induce topological phase transitions in a variety of topologically trivial materials. Screening of topological phase transition materials by experiments alone is limited by high cost and time-consuming synthesis process. Therefore, Density Functional Theory based calculations with predictive capabilities are essential for development of microscopic understanding and prediction of materials exhibiting pressure-induced topological phase transition.

The objective of this proposed effort is to understand the microscopic origins of pressure-induced phase transitions in 3D crystalline topologically trivial materials such as PbTe and their alloys. Understanding the microscopic origin behind the topological phase transition in known materials will allow the exploration of new TI materials for technological applications in the fields ranging from spintronics to superconductivity.

Duration of this Research and Development is one year (12 months).

1.1. Requirements.

This effort is for the investigation of pressure-induced topological phase transitions in 3D and 2D materials using Density Functional Theory (DFT) computational quantum mechanical modelling.

1.2. Tasks.

1.2.1. Utilize DFT to understand the mechanisms behind pressure-induced topological phase transitions in 3D and 2D materials and develop a set of rules governing the pressure-induced topological phase transitions.

1.2.2. Utilize Density Functional Perturbation Theory (DFPT) to determine the correlation between phase transition and changes in Raman shifts and phonon life times.

1.2.3. Analysis non-rare earth based half-Heusler alloys for topological behavior.

1.3. DELIVERABLES

The Contractor shall submit two (2) deliverables associated with this contract.

1.3.1. First Deliverable – Technical Concept Report

The Contractor shall submit a Technical Concept Report to ITC-PAC within thirty (30) days from the start of the project. The Technical Concept Report shall include, at a minimum, the following information:

Project title Investigator(s)

- Name

- Position title

- Organization name

- Address

- Telephone number

- Fax number

- Email address

Technical Approach Program Schedule

1.3.2. Second Deliverable (1) Final Report, (2) Financial Report

1.3.2.1. Final Report

The Contractor shall submit a Final Report to ITC-PAC with all the results and discoveries encountered during the project at the end of the twelve (12) month period. The Final Report shall include, at a minimum, the following information:

Project title Investigator(s)

- Name

- Position title

- Organization name

- Address

- Telephone number

- Fax number

- Email address

Summary (or Abstract) of the Project Introduction (or Background)

Results & Discussion Conclusions and Recommendations Acknowledgements References

1.3.2.2. Financial Report

Together with the Final Report, the Contractor shall deliver the Financial Report of the Project to ITC-PAC at the end of the twelve (12) month period. The Financial Report shall include the cost spent for the Project in the following category: Labor Cost, Overhead, and direct Cost (Equipment, Travel, Material & Supply, Publication & Report, and Computer Service).

1.4. PAYMENTS.

1.4.1. 1st Payment.

After ITC-PAC’s acceptance of the First Deliverable mentioned above, the Contractor shall submit the first invoice to ITC-PAC. The first payment will be made upon ITC-PAC’s certification of the invoice.

1.4.2. 2nd Payment/Final Payment.

After ITC-PAC’s acceptance of the Second Deliverable mentioned above, the Contractor shall submit the invoice to ITC-PAC. The 2nd payment will be made upon ITC-PAC’s certification of the invoice.

2. PROGAM MANAGEMENT.

The Contractor shall designate a single program management point of contact. The Contractor shall develop management plans to ensure that all elements of this effort are successfully executed within the program budgets and schedules.

2.1. SAFETY REQUIREMENTS.

N/A.

2.2. TRAINING REQUIREMENTS.

N/A.

3. GOVERNMENT POCS.

ITC-PAC: Dr. Ashok Patil, Director, Power and Energy, Phone +65 6476- 9247, PatilAS@state.gov

4. GOVERNMENT FURNISHED PROPERTY.

None.

5. GENERAL INFORMATION.

5.1. Contractor Employees. Personnel shall meet or exceed the following requirement:

5.1.1. The Contractor shall not hire employees of the United States Government and/or employees otherwise under contract for service to the United States Government if employing such persons would create a conflict of interest, or appearance of a conflict of interest as determined by the Contractor. The Contractor shall not employ any person who is an employee of DoD, unless such person seeks and receives approval according to DODR 5500.7, Standards of Conduct.